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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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).