cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one

C70H100N4O3S2 — CID 158415528

IUPACcumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one
SMILESCC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.O=c1cccc[nH]1
InChIInChI=1S/C9H12.3C8H11N.2C7H10O.2C7H10S.C5H5NO.C4H10/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;7-5-3-1-2-4-6-5;1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;1-4H,(H,6,7);4H,1-3H3
InChIKeyGZVPYLVXIPBURV-UHFFFAOYSA-N
MW1109.73 g/mol
LogP22.01
Rot. Bonds8

About cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one

cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one (PubChem CID 158415528) has the molecular formula C70H100N4O3S2 and a molecular weight of 1109.73 g/mol. Its IUPAC name is cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one.

Molecular Properties

Compound Namecumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one
PubChem CID158415528
Molecular FormulaC70H100N4O3S2
Molecular Weight1109.73 g/mol
Exact Mass1108.72
IUPAC Namecumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one
SMILESCC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.O=c1cccc[nH]1
InChIInChI=1S/C9H12.3C8H11N.2C7H10O.2C7H10S.C5H5NO.C4H10/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;7-5-3-1-2-4-6-5;1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;1-4H,(H,6,7);4H,1-3H3
InChIKeyGZVPYLVXIPBURV-UHFFFAOYSA-N
XLogP22.01
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.73
LogP ≤ 522.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one with MolForge

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
N-(1-amino-3-phenylpropan-2-yl)-4-[(E)-2-amino-1-pyridin-3-ylethenyl]-5-(furan-3-yl)thiophene-2-carboxamide
CID 70315761
N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine
CID 91167924
2-(5-Ethoxythiophen-3-yl)sulfanyl-4-(furan-2-yl)-5-(1,2,3,6-tetrahydropyridin-6-yl)pyridine
CID 122673594
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-[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
4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
CID 140983712
2-[4-(furan-2-yl)-5-(1H-pyrrol-2-yl)thiophen-3-yl]pyridine
CID 140991023
2,3-Bis[furan-2-yl(thiophen-2-yl)methyl]pyridine
CID 141174094
3-[2-(Furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine
CID 141203724

Frequently Asked Questions

What is the IUPAC name of cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one?
The IUPAC name of cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one (CID 158415528) is cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one.
What is the SMILES notation for cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one?
The canonical SMILES for cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one is CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.O=c1cccc[nH]1.
What is the InChIKey of cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one?
The InChIKey is GZVPYLVXIPBURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.2C7H10O.2C7H10S.C5H5NO.C4H10/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;7-5-3-1-2-4-6-5;1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;4*3-6H,1-2H3;1-4H,(H,6,7);4H,1-3H3.
What are the key properties of cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one?
cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one has a molecular weight of 1109.73 g/mol, XLogP of 22.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one is sourced from PubChem (CID 158415528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).