2H-benzo[a]quinolizine-2-carbonitrile

C14H10N2 — CID 154489905

IUPAC2H-benzo[a]quinolizine-2-carbonitrile
SMILESN#CC1C=CN2C=Cc3ccccc3C2=C1
InChIInChI=1S/C14H10N2/c15-10-11-5-7-16-8-6-12-3-1-2-4-13(12)14(16)9-11/h1-9,11H
InChIKeyTUQJOZKQEJHYJF-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.98
Rot. Bonds

About 2H-benzo[a]quinolizine-2-carbonitrile

2H-benzo[a]quinolizine-2-carbonitrile (PubChem CID 154489905) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2H-benzo[a]quinolizine-2-carbonitrile.

Molecular Properties

Compound Name2H-benzo[a]quinolizine-2-carbonitrile
PubChem CID154489905
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name2H-benzo[a]quinolizine-2-carbonitrile
SMILESN#CC1C=CN2C=Cc3ccccc3C2=C1
InChIInChI=1S/C14H10N2/c15-10-11-5-7-16-8-6-12-3-1-2-4-13(12)14(16)9-11/h1-9,11H
InChIKeyTUQJOZKQEJHYJF-UHFFFAOYSA-N
XLogP2.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride
CID 70550287
tert-butyl pyrazino[2,1-a]isoquinoline-2-carboxylate
CID 141471372
2,4-dihydro-[1,3]thiazino[4,3-a]isoquinoline
CID 152758606
tert-butyl 1-cyano-1H-isoquinoline-2-carboxylate
CID 86230589
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
2-(methoxymethyl)-1H-isoquinoline-1-carbonitrile
CID 121001173
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
5-methylbenzo[d][1]benzazepine
CID 67174397
9,10-dihydrophenanthrene-9,10-dicarbonitrile
CID 13028861
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
2H-chromene-2-carbonitrile;hydrate
CID 175108536
4H-benzo[a]quinolizine-3-carboxylic acid
CID 135314294

Frequently Asked Questions

What is the IUPAC name of 2H-benzo[a]quinolizine-2-carbonitrile?
The IUPAC name of 2H-benzo[a]quinolizine-2-carbonitrile (CID 154489905) is 2H-benzo[a]quinolizine-2-carbonitrile.
What is the SMILES notation for 2H-benzo[a]quinolizine-2-carbonitrile?
The canonical SMILES for 2H-benzo[a]quinolizine-2-carbonitrile is N#CC1C=CN2C=Cc3ccccc3C2=C1.
What is the InChIKey of 2H-benzo[a]quinolizine-2-carbonitrile?
The InChIKey is TUQJOZKQEJHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c15-10-11-5-7-16-8-6-12-3-1-2-4-13(12)14(16)9-11/h1-9,11H.
What are the key properties of 2H-benzo[a]quinolizine-2-carbonitrile?
2H-benzo[a]quinolizine-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[a]quinolizine-2-carbonitrile is sourced from PubChem (CID 154489905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).