azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine

C142H314N6O — CID 162231158

IUPACazepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine
SMILESC1CC2CC(C1)C2.C1CC2CCC1CC2.C1CCC1.C1CCCC1.C1CCCCCC1.C1CCCNCC1.C1CCNC1.C1CNCCNC1.C1CNCCOC1.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)C1CC1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C8H7N.C8H14.C7H12.C7H14.C6H13N.C6H12.C5H12N2.C5H11NO.C5H10.C4H9N.C4H8.11C4H10.12C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-3-7(1)4-6-8;1-2-6-4-7(3-1)5-6;2*1-2-4-6-7-5-3-1;1-5(2)6-3-4-6;1-2-6-4-5-7-3-1;1-2-6-3-5-7-4-1;2*1-2-4-5-3-1;1-2-4-3-1;11*1-4(2)3;12*1-2/h1-2,4-5H,3,6-7H2;1-6,9H;7-8H,1-6H2;6-7H,1-5H2;1-7H2;7H,1-6H2;5-6H,3-4H2,1-2H3;6-7H,1-5H2;6H,1-5H2;1-5H2;5H,1-4H2;1-4H2;11*4H,1-3H3;12*1-2H3
InChIKeyZVLHCUCMOIVCIK-UHFFFAOYSA-N
MW2122.11 g/mol
LogP49.11
Rot. Bonds1

About azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine

azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine (PubChem CID 162231158) has the molecular formula C142H314N6O and a molecular weight of 2122.11 g/mol. Its IUPAC name is azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine.

Molecular Properties

Compound Nameazepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine
PubChem CID162231158
Molecular FormulaC142H314N6O
Molecular Weight2122.11 g/mol
Exact Mass2120.47
IUPAC Nameazepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine
SMILESC1CC2CC(C1)C2.C1CC2CCC1CC2.C1CCC1.C1CCCC1.C1CCCCCC1.C1CCCNCC1.C1CCNC1.C1CNCCNC1.C1CNCCOC1.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)C1CC1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C8H7N.C8H14.C7H12.C7H14.C6H13N.C6H12.C5H12N2.C5H11NO.C5H10.C4H9N.C4H8.11C4H10.12C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-3-7(1)4-6-8;1-2-6-4-7(3-1)5-6;2*1-2-4-6-7-5-3-1;1-5(2)6-3-4-6;1-2-6-4-5-7-3-1;1-2-6-3-5-7-4-1;2*1-2-4-5-3-1;1-2-4-3-1;11*1-4(2)3;12*1-2/h1-2,4-5H,3,6-7H2;1-6,9H;7-8H,1-6H2;6-7H,1-5H2;1-7H2;7H,1-6H2;5-6H,3-4H2,1-2H3;6-7H,1-5H2;6H,1-5H2;1-5H2;5H,1-4H2;1-4H2;11*4H,1-3H3;12*1-2H3
InChIKeyZVLHCUCMOIVCIK-UHFFFAOYSA-N
XLogP49.11
TPSA85.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002122.11
LogP ≤ 549.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine with MolForge

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Related Compounds

azepane;1-benzofuran;1-benzothiophene;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indole;methane;nonadecakis(2-methylpropane);morpholine;oxane;1,4-oxazepane;piperazine;piperidine;propan-2-ylcyclopropane;pyrrolidine
CID 162037298
azepane;bicyclo[2.2.2]octane;cycloheptane;1,4-diazepane;ethane;pentakis(2-methylpropane);1,4-oxazepane
CID 160559147
2,3-dihydro-1H-indole;ethane;1H-indole;piperidine
CID 160955501
1H-indole;1,4,7-triazonane
CID 158488040
2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
CID 159287838
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;azepane;azocane;2,3-dihydro-1H-indene;piperidine;pyrrolidine
CID 157345771
ethane;1H-indole;methane
CID 169425426
1H-indole;propan-2-amine
CID 172785583
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
CID 162002858
1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174779227
bis(1H-indole);methanol
CID 70305490

Frequently Asked Questions

What is the IUPAC name of azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine?
The IUPAC name of azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine (CID 162231158) is azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine.
What is the SMILES notation for azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine?
The canonical SMILES for azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine is C1CC2CC(C1)C2.C1CC2CCC1CC2.C1CCC1.C1CCCC1.C1CCCCCC1.C1CCCNCC1.C1CCNC1.C1CNCCNC1.C1CNCCOC1.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)C1CC1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.
What is the InChIKey of azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine?
The InChIKey is ZVLHCUCMOIVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H7N.C8H14.C7H12.C7H14.C6H13N.C6H12.C5H12N2.C5H11NO.C5H10.C4H9N.C4H8.11C4H10.12C2H6/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-3-7(1)4-6-8;1-2-6-4-7(3-1)5-6;2*1-2-4-6-7-5-3-1;1-5(2)6-3-4-6;1-2-6-4-5-7-3-1;1-2-6-3-5-7-4-1;2*1-2-4-5-3-1;1-2-4-3-1;11*1-4(2)3;12*1-2/h1-2,4-5H,3,6-7H2;1-6,9H;7-8H,1-6H2;6-7H,1-5H2;1-7H2;7H,1-6H2;5-6H,3-4H2,1-2H3;6-7H,1-5H2;6H,1-5H2;1-5H2;5H,1-4H2;1-4H2;11*4H,1-3H3;12*1-2H3.
What are the key properties of azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine?
azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine has a molecular weight of 2122.11 g/mol, XLogP of 49.11, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;cyclobutane;cycloheptane;cyclopentane;1,4-diazepane;2,3-dihydro-1H-indene;ethane;1H-indole;undecakis(2-methylpropane);1,4-oxazepane;propan-2-ylcyclopropane;pyrrolidine is sourced from PubChem (CID 162231158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).