1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine

C162H343N7O3S — CID 157497906

IUPAC1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine
SMILESC.C1CC2CC(C1)C2.C1CCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C9H10.C8H7N.C8H6O.C8H6S.C7H12.C6H12.C5H11N.C5H10O.C5H10.C4H10N2.C4H9NO.C4H9N.C4H5N.C4H8.13C4H10.14C2H6.CH4/c1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-7(3-1)5-6;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-4-3-1;13*1-4(2)3;14*1-2;/h1-2,4-5H,3,6-7H2;1-6,9H;2*1-6H;6-7H,1-5H2;5-6H,3-4H2,1-2H3;6H,1-5H2;1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;13*4H,1-3H3;14*1-2H3;1H4
InChIKeyBYAXHRBKBVFWJK-UHFFFAOYSA-N
MW2469.64 g/mol
LogP56.17
Rot. Bonds1

About 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine

1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine (PubChem CID 157497906) has the molecular formula C162H343N7O3S and a molecular weight of 2469.64 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine
PubChem CID157497906
Molecular FormulaC162H343N7O3S
Molecular Weight2469.64 g/mol
Exact Mass2467.66
IUPAC Name1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine
SMILESC.C1CC2CC(C1)C2.C1CCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C9H10.C8H7N.C8H6O.C8H6S.C7H12.C6H12.C5H11N.C5H10O.C5H10.C4H10N2.C4H9NO.C4H9N.C4H5N.C4H8.13C4H10.14C2H6.CH4/c1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-7(3-1)5-6;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-4-3-1;13*1-4(2)3;14*1-2;/h1-2,4-5H,3,6-7H2;1-6,9H;2*1-6H;6-7H,1-5H2;5-6H,3-4H2,1-2H3;6H,1-5H2;1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;13*4H,1-3H3;14*1-2H3;1H4
InChIKeyBYAXHRBKBVFWJK-UHFFFAOYSA-N
XLogP56.17
TPSA123.33 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002469.64
LogP ≤ 556.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine with MolForge

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Related Compounds

1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene
CID 157078199
1-benzofuran;1,3-benzothiazole;1-benzothiophene;furan;1H-indole;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157103656
1-benzofuran;1-benzothiophene;5,6-dihydro-4H-1,3-thiazine;1,4-dioxane;1,4-dithiane;ethane;1H-indole;indolizine;thiomorpholine
CID 157124936
1-benzofuran;1-benzothiophene;cyclopentane;ethane;1H-indole;octakis(2-methylpropane);oxane;propan-2-ylcyclopropane;pyrrolidine;1,2,3,4-tetrahydroquinoline;thiophene;2,2,3-trimethylbutane
CID 157179621
2-chloro-5-ethylpyridine;cumene;2-ethylfuran;3-ethyl-1H-indole;3-ethyl-1-methylindole;2-ethylthiophene;1-methoxy-4-propan-2-ylbenzene;[(2R)-2-methylcyclopropyl]benzene;2-methyl-2,3-dihydro-1H-indene
CID 157250423
benzene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;furan;1H-indole;2H-isoindole;naphthalene;1H-pyrrole;thiophene
CID 157421849
1-benzofuran;1-benzothiophene;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indole;isoquinoline;nonakis(2-methylpropane);quinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157734836

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine?
The IUPAC name of 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine (CID 157497906) is 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine?
The canonical SMILES for 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine is C.C1CC2CC(C1)C2.C1CCC1.C1CCCC1.C1CCNC1.C1CCNCC1.C1CCOCC1.C1CNCCN1.C1COCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2occc2c1.c1ccc2sccc2c1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine?
The InChIKey is BYAXHRBKBVFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H7N.C8H6O.C8H6S.C7H12.C6H12.C5H11N.C5H10O.C5H10.C4H10N2.C4H9NO.C4H9N.C4H5N.C4H8.13C4H10.14C2H6.CH4/c1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-7(3-1)5-6;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-4-3-1;13*1-4(2)3;14*1-2;/h1-2,4-5H,3,6-7H2;1-6,9H;2*1-6H;6-7H,1-5H2;5-6H,3-4H2,1-2H3;6H,1-5H2;1-5H2;1-5H2;5-6H,1-4H2;5H,1-4H2;5H,1-4H2;1-5H;1-4H2;13*4H,1-3H3;14*1-2H3;1H4.
What are the key properties of 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine?
1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine has a molecular weight of 2469.64 g/mol, XLogP of 56.17, 1 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;cyclobutane;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indole;methane;tridecakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;propan-2-ylcyclopropane;1H-pyrrole;pyrrolidine is sourced from PubChem (CID 157497906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).