2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile

C10H13N3 — CID 79101354

IUPAC2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nn1cccc1
InChIInChI=1S/C10H13N3/c11-8-9-4-3-5-10(9)12-13-6-1-2-7-13/h1-2,6-7,9-10,12H,3-5H2
InChIKeyOVPZOMXYQCOCGB-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.72
Rot. Bonds2

About 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile

2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79101354) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile
PubChem CID79101354
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nn1cccc1
InChIInChI=1S/C10H13N3/c11-8-9-4-3-5-10(9)12-13-6-1-2-7-13/h1-2,6-7,9-10,12H,3-5H2
InChIKeyOVPZOMXYQCOCGB-UHFFFAOYSA-N
XLogP1.72
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dimethylpiperidin-1-yl)amino]cyclohexane-1-carbonitrile
CID 83015033
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
CID 83021022
2-anilinocyclohexane-1-carbonitrile
CID 62741639
2-[(1-methylpyrazol-3-yl)amino]cyclopentane-1-carbonitrile
CID 79778379
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
2-(2,4,6-trichloroanilino)cyclopentane-1-carbonitrile
CID 62743926

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile (CID 79101354) is 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nn1cccc1.
What is the InChIKey of 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is OVPZOMXYQCOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-8-9-4-3-5-10(9)12-13-6-1-2-7-13/h1-2,6-7,9-10,12H,3-5H2.
What are the key properties of 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile?
2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79101354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).