4H-pyrrolo[1,2-a]indole-6-carbonitrile

C12H8N2 — CID 102517311

IUPAC4H-pyrrolo[1,2-a]indole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)Cc1cccn1-2
InChIInChI=1S/C12H8N2/c13-8-9-3-4-12-10(6-9)7-11-2-1-5-14(11)12/h1-6H,7H2
InChIKeyXVBYCJQSGBHURN-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.25
Rot. Bonds

About 4H-pyrrolo[1,2-a]indole-6-carbonitrile

4H-pyrrolo[1,2-a]indole-6-carbonitrile (PubChem CID 102517311) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4H-pyrrolo[1,2-a]indole-6-carbonitrile.

Molecular Properties

Compound Name4H-pyrrolo[1,2-a]indole-6-carbonitrile
PubChem CID102517311
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name4H-pyrrolo[1,2-a]indole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)Cc1cccn1-2
InChIInChI=1S/C12H8N2/c13-8-9-3-4-12-10(6-9)7-11-2-1-5-14(11)12/h1-6H,7H2
InChIKeyXVBYCJQSGBHURN-UHFFFAOYSA-N
XLogP2.25
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[1,2-a]indole-6-carbonitrile?
The IUPAC name of 4H-pyrrolo[1,2-a]indole-6-carbonitrile (CID 102517311) is 4H-pyrrolo[1,2-a]indole-6-carbonitrile.
What is the SMILES notation for 4H-pyrrolo[1,2-a]indole-6-carbonitrile?
The canonical SMILES for 4H-pyrrolo[1,2-a]indole-6-carbonitrile is N#Cc1ccc2c(c1)Cc1cccn1-2.
What is the InChIKey of 4H-pyrrolo[1,2-a]indole-6-carbonitrile?
The InChIKey is XVBYCJQSGBHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c13-8-9-3-4-12-10(6-9)7-11-2-1-5-14(11)12/h1-6H,7H2.
What are the key properties of 4H-pyrrolo[1,2-a]indole-6-carbonitrile?
4H-pyrrolo[1,2-a]indole-6-carbonitrile has a molecular weight of 180.21 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[1,2-a]indole-6-carbonitrile is sourced from PubChem (CID 102517311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).