2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide

C12H16N2O — CID 106385742

IUPAC2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(CC1C=CCC1)NCc1cc[nH]c1
InChIInChI=1S/C12H16N2O/c15-12(7-10-3-1-2-4-10)14-9-11-5-6-13-8-11/h1,3,5-6,8,10,13H,2,4,7,9H2,(H,14,15)
InChIKeyPSJOGNLRBOBBFR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.99
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide

2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106385742) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106385742
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(CC1C=CCC1)NCc1cc[nH]c1
InChIInChI=1S/C12H16N2O/c15-12(7-10-3-1-2-4-10)14-9-11-5-6-13-8-11/h1,3,5-6,8,10,13H,2,4,7,9H2,(H,14,15)
InChIKeyPSJOGNLRBOBBFR-UHFFFAOYSA-N
XLogP1.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide 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-cyclobutyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385129
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 18119482
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384935
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 51106744
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
CID 10337895
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46456745
4-[[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-2-methoxybenzoic acid
CID 124688534

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106385742) is 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide is O=C(CC1C=CCC1)NCc1cc[nH]c1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is PSJOGNLRBOBBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(7-10-3-1-2-4-10)14-9-11-5-6-13-8-11/h1,3,5-6,8,10,13H,2,4,7,9H2,(H,14,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106385742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).