2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile

C11H12N2 — CID 10464768

IUPAC2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
SMILESN#CC[C@@H]1CCc2ccccc2N1
InChIInChI=1S/C11H12N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,10,13H,5-7H2/t10-/m0/s1
InChIKeyQZTBXCDPHAWCOL-JTQLQIEISA-N
MW172.23 g/mol
LogP2.33
Rot. Bonds1

About 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile

2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile (PubChem CID 10464768) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
PubChem CID10464768
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
SMILESN#CC[C@@H]1CCc2ccccc2N1
InChIInChI=1S/C11H12N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,10,13H,5-7H2/t10-/m0/s1
InChIKeyQZTBXCDPHAWCOL-JTQLQIEISA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104451
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352
2-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104442
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
CID 138966764

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile?
The IUPAC name of 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile (CID 10464768) is 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile is N#CC[C@@H]1CCc2ccccc2N1.
What is the InChIKey of 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile?
The InChIKey is QZTBXCDPHAWCOL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-4,10,13H,5-7H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile?
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile is sourced from PubChem (CID 10464768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).