2-cyclopropyl-2-quinolin-2-ylacetonitrile

C14H12N2 — CID 175668506

IUPAC2-cyclopropyl-2-quinolin-2-ylacetonitrile
SMILESN#CC(c1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C14H12N2/c15-9-12(10-5-6-10)14-8-7-11-3-1-2-4-13(11)16-14/h1-4,7-8,10,12H,5-6H2
InChIKeyAQHBRWDMTHWDSF-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.25
Rot. Bonds2

About 2-cyclopropyl-2-quinolin-2-ylacetonitrile

2-cyclopropyl-2-quinolin-2-ylacetonitrile (PubChem CID 175668506) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-quinolin-2-ylacetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-quinolin-2-ylacetonitrile
PubChem CID175668506
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-cyclopropyl-2-quinolin-2-ylacetonitrile
SMILESN#CC(c1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C14H12N2/c15-9-12(10-5-6-10)14-8-7-11-3-1-2-4-13(11)16-14/h1-4,7-8,10,12H,5-6H2
InChIKeyAQHBRWDMTHWDSF-UHFFFAOYSA-N
XLogP3.25
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-quinolin-2-ylethanamine
CID 63222470
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
(R)-cyclobutyl(quinolin-2-yl)methanamine;hydrochloride
CID 171216952
1-(4-ethylcyclohexyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 64773812
methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
2-(1-chloroethyl)quinoline
CID 14750485
amino(quinolin-2-yl)methanol
CID 154237779

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-quinolin-2-ylacetonitrile?
The IUPAC name of 2-cyclopropyl-2-quinolin-2-ylacetonitrile (CID 175668506) is 2-cyclopropyl-2-quinolin-2-ylacetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-quinolin-2-ylacetonitrile?
The canonical SMILES for 2-cyclopropyl-2-quinolin-2-ylacetonitrile is N#CC(c1ccc2ccccc2n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-quinolin-2-ylacetonitrile?
The InChIKey is AQHBRWDMTHWDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-9-12(10-5-6-10)14-8-7-11-3-1-2-4-13(11)16-14/h1-4,7-8,10,12H,5-6H2.
What are the key properties of 2-cyclopropyl-2-quinolin-2-ylacetonitrile?
2-cyclopropyl-2-quinolin-2-ylacetonitrile has a molecular weight of 208.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-quinolin-2-ylacetonitrile is sourced from PubChem (CID 175668506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).