3H-cyclopenta[c]quinoline-4-carbonitrile

C13H8N2 — CID 89386863

IUPAC3H-cyclopenta[c]quinoline-4-carbonitrile
SMILESN#Cc1nc2ccccc2c2c1CC=C2
InChIInChI=1S/C13H8N2/c14-8-13-11-6-3-5-9(11)10-4-1-2-7-12(10)15-13/h1-5,7H,6H2
InChIKeySXHPRKDXCQLPAW-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.68
Rot. Bonds

About 3H-cyclopenta[c]quinoline-4-carbonitrile

3H-cyclopenta[c]quinoline-4-carbonitrile (PubChem CID 89386863) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3H-cyclopenta[c]quinoline-4-carbonitrile.

Molecular Properties

Compound Name3H-cyclopenta[c]quinoline-4-carbonitrile
PubChem CID89386863
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Name3H-cyclopenta[c]quinoline-4-carbonitrile
SMILESN#Cc1nc2ccccc2c2c1CC=C2
InChIInChI=1S/C13H8N2/c14-8-13-11-6-3-5-9(11)10-4-1-2-7-12(10)15-13/h1-5,7H,6H2
InChIKeySXHPRKDXCQLPAW-UHFFFAOYSA-N
XLogP2.68
TPSA36.68 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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-cyclopenta[c]quinoline-4-carbonitrile?
The IUPAC name of 3H-cyclopenta[c]quinoline-4-carbonitrile (CID 89386863) is 3H-cyclopenta[c]quinoline-4-carbonitrile.
What is the SMILES notation for 3H-cyclopenta[c]quinoline-4-carbonitrile?
The canonical SMILES for 3H-cyclopenta[c]quinoline-4-carbonitrile is N#Cc1nc2ccccc2c2c1CC=C2.
What is the InChIKey of 3H-cyclopenta[c]quinoline-4-carbonitrile?
The InChIKey is SXHPRKDXCQLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-8-13-11-6-3-5-9(11)10-4-1-2-7-12(10)15-13/h1-5,7H,6H2.
What are the key properties of 3H-cyclopenta[c]quinoline-4-carbonitrile?
3H-cyclopenta[c]quinoline-4-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-cyclopenta[c]quinoline-4-carbonitrile is sourced from PubChem (CID 89386863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).