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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4H-pyrrolo[1,2-a]indole
CID 25228432
1-(2-chloro-4-cyanophenyl)pyrrole-2-carbonitrile
CID 114650817
N-[1-(7-cyano-3,3-dimethyl-4H-naphthalen-1-yl)-2-oxo-3-pyridinyl]acetamide
CID 19887455
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 152766237
1,5-dimethyl-2,4-dioxo-1,5-benzodiazepine-7-carbonitrile
CID 70656402
CID 89059815
CID 89059815
2-methanidyl-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 58778089
3-amino-4-(azepan-1-yl)benzonitrile
CID 43517941
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736
ethyl (E)-3-[1-(4-cyano-2-methylphenyl)pyrrol-2-yl]prop-2-enoate
CID 58305595
tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile
CID 102170033
6-(2-cyanopyrrol-1-yl)pyridine-3-carbonitrile
CID 114650786

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).