2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile

C17H22N2O — CID 82522250

IUPAC2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
SMILESN#CCc1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C17H22N2O/c18-11-10-14-12-13-6-4-5-9-16(13)19(17(14)20)15-7-2-1-3-8-15/h12,15H,1-10H2
InChIKeyMTJSLNZOECHTPR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.30
Rot. Bonds2

About 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile

2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile (PubChem CID 82522250) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
PubChem CID82522250
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
SMILESN#CCc1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C17H22N2O/c18-11-10-14-12-13-6-4-5-9-16(13)19(17(14)20)15-7-2-1-3-8-15/h12,15H,1-10H2
InChIKeyMTJSLNZOECHTPR-UHFFFAOYSA-N
XLogP3.30
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile with MolForge

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Related Compounds

1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetonitrile
CID 82522163
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82522466
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 82522253
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522847
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82520507

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile?
The IUPAC name of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile (CID 82522250) is 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile is N#CCc1cc2c(n(C3CCCCC3)c1=O)CCCC2.
What is the InChIKey of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile?
The InChIKey is MTJSLNZOECHTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-11-10-14-12-13-6-4-5-9-16(13)19(17(14)20)15-7-2-1-3-8-15/h12,15H,1-10H2.
What are the key properties of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile?
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile is sourced from PubChem (CID 82522250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).