pyrrolo[1,2-a]quinoline-3-carbonitrile

C13H8N2 — CID 90936676

IUPACpyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1ccn2c1ccc1ccccc12
InChIInChI=1S/C13H8N2/c14-9-11-7-8-15-12-4-2-1-3-10(12)5-6-13(11)15/h1-8H
InChIKeyMWLLEUHLNYNGNY-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.96
Rot. Bonds

About pyrrolo[1,2-a]quinoline-3-carbonitrile

pyrrolo[1,2-a]quinoline-3-carbonitrile (PubChem CID 90936676) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is pyrrolo[1,2-a]quinoline-3-carbonitrile.

Molecular Properties

Compound Namepyrrolo[1,2-a]quinoline-3-carbonitrile
PubChem CID90936676
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Namepyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1ccn2c1ccc1ccccc12
InChIInChI=1S/C13H8N2/c14-9-11-7-8-15-12-4-2-1-3-10(12)5-6-13(11)15/h1-8H
InChIKeyMWLLEUHLNYNGNY-UHFFFAOYSA-N
XLogP2.96
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyrido[1,2-a]indole-8-carbonitrile
CID 91666081
4-indol-1-yl-2-methyl-3-(trifluoromethyl)benzonitrile
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4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
naphthalene-2,3-dicarbonitrile
CID 601270
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633
1-cyanoindolizine-3-carboxylic acid
CID 10888656
3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)benzene-1,2-dicarbonitrile
CID 121329042
4-(2-phenylphenyl)pyrrolo[1,2-a]quinoline
CID 42612563
2,5-bis(14-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328788
pyrido[1,2-a]indole-10-carbonitrile
CID 66666977
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 10337357

Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]quinoline-3-carbonitrile?
The IUPAC name of pyrrolo[1,2-a]quinoline-3-carbonitrile (CID 90936676) is pyrrolo[1,2-a]quinoline-3-carbonitrile.
What is the SMILES notation for pyrrolo[1,2-a]quinoline-3-carbonitrile?
The canonical SMILES for pyrrolo[1,2-a]quinoline-3-carbonitrile is N#Cc1ccn2c1ccc1ccccc12.
What is the InChIKey of pyrrolo[1,2-a]quinoline-3-carbonitrile?
The InChIKey is MWLLEUHLNYNGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-9-11-7-8-15-12-4-2-1-3-10(12)5-6-13(11)15/h1-8H.
What are the key properties of pyrrolo[1,2-a]quinoline-3-carbonitrile?
pyrrolo[1,2-a]quinoline-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]quinoline-3-carbonitrile is sourced from PubChem (CID 90936676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).