2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile

C11H12N2 — CID 116997937

IUPAC2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
SMILESN#CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C11H12N2/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h3-4,8,13H,1-2,5,7H2
InChIKeyWCBVZLILCZOKIU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.11
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile

2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile (PubChem CID 116997937) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
PubChem CID116997937
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
SMILESN#CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C11H12N2/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h3-4,8,13H,1-2,5,7H2
InChIKeyWCBVZLILCZOKIU-UHFFFAOYSA-N
XLogP2.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12562356
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
CID 131363132
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
6-ethynyl-1,2,3,4-tetrahydroquinoline
CID 19702071

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile (CID 116997937) is 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile is N#CCc1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile?
The InChIKey is WCBVZLILCZOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h3-4,8,13H,1-2,5,7H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile?
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile is sourced from PubChem (CID 116997937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).