5-amino-1-cyclohexylpyrrole-3-carbonitrile

C11H15N3 — CID 10679211

IUPAC5-amino-1-cyclohexylpyrrole-3-carbonitrile
SMILESN#Cc1cc(N)n(C2CCCCC2)c1
InChIInChI=1S/C11H15N3/c12-7-9-6-11(13)14(8-9)10-4-2-1-3-5-10/h6,8,10H,1-5,13H2
InChIKeyRMOGWUVCIGMOAX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds1

About 5-amino-1-cyclohexylpyrrole-3-carbonitrile

5-amino-1-cyclohexylpyrrole-3-carbonitrile (PubChem CID 10679211) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-amino-1-cyclohexylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cyclohexylpyrrole-3-carbonitrile
PubChem CID10679211
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-amino-1-cyclohexylpyrrole-3-carbonitrile
SMILESN#Cc1cc(N)n(C2CCCCC2)c1
InChIInChI=1S/C11H15N3/c12-7-9-6-11(13)14(8-9)10-4-2-1-3-5-10/h6,8,10H,1-5,13H2
InChIKeyRMOGWUVCIGMOAX-UHFFFAOYSA-N
XLogP2.45
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-cyclohexylpyrrole-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexylpyrrole-3-carbonitrile?
The IUPAC name of 5-amino-1-cyclohexylpyrrole-3-carbonitrile (CID 10679211) is 5-amino-1-cyclohexylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-amino-1-cyclohexylpyrrole-3-carbonitrile?
The canonical SMILES for 5-amino-1-cyclohexylpyrrole-3-carbonitrile is N#Cc1cc(N)n(C2CCCCC2)c1.
What is the InChIKey of 5-amino-1-cyclohexylpyrrole-3-carbonitrile?
The InChIKey is RMOGWUVCIGMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-7-9-6-11(13)14(8-9)10-4-2-1-3-5-10/h6,8,10H,1-5,13H2.
What are the key properties of 5-amino-1-cyclohexylpyrrole-3-carbonitrile?
5-amino-1-cyclohexylpyrrole-3-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexylpyrrole-3-carbonitrile is sourced from PubChem (CID 10679211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).