2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile

C11H15N3 — CID 84816919

IUPAC2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc[nH]1
InChIInChI=1S/C11H15N3/c12-8-11(10-6-3-7-13-10)14-9-4-1-2-5-9/h3,6-7,9,11,13-14H,1-2,4-5H2
InChIKeySWRLQORKNJXDMI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.11
Rot. Bonds3

About 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile

2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile (PubChem CID 84816919) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
PubChem CID84816919
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc[nH]1
InChIInChI=1S/C11H15N3/c12-8-11(10-6-3-7-13-10)14-9-4-1-2-5-9/h3,6-7,9,11,13-14H,1-2,4-5H2
InChIKeySWRLQORKNJXDMI-UHFFFAOYSA-N
XLogP2.11
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile 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

2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816713
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
CID 79984503
2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84817813
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetonitrile
CID 61346638
2-(cycloheptylamino)-2-(5-methylthiophen-2-yl)acetonitrile
CID 61345592
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile (CID 84816919) is 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile is N#CC(NC1CCCC1)c1ccc[nH]1.
What is the InChIKey of 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The InChIKey is SWRLQORKNJXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-8-11(10-6-3-7-13-10)14-9-4-1-2-5-9/h3,6-7,9,11,13-14H,1-2,4-5H2.
What are the key properties of 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 84816919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).