1-acetyl-2,3-dihydropyrrole-2-carboxamide

C7H10N2O2 — CID 66755761

IUPAC1-acetyl-2,3-dihydropyrrole-2-carboxamide
SMILESCC(=O)N1C=CCC1C(N)=O
InChIInChI=1S/C7H10N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h2,4,6H,3H2,1H3,(H2,8,11)
InChIKeyHKZBCXDWWAAQFE-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.39
Rot. Bonds1

About 1-acetyl-2,3-dihydropyrrole-2-carboxamide

1-acetyl-2,3-dihydropyrrole-2-carboxamide (PubChem CID 66755761) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-2,3-dihydropyrrole-2-carboxamide
PubChem CID66755761
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-acetyl-2,3-dihydropyrrole-2-carboxamide
SMILESCC(=O)N1C=CCC1C(N)=O
InChIInChI=1S/C7H10N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h2,4,6H,3H2,1H3,(H2,8,11)
InChIKeyHKZBCXDWWAAQFE-UHFFFAOYSA-N
XLogP-0.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-2,3-dihydropyrrole-2-carboxamide 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 1-acetyl-2,3-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-acetyl-2,3-dihydropyrrole-2-carboxamide (CID 66755761) is 1-acetyl-2,3-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-acetyl-2,3-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-acetyl-2,3-dihydropyrrole-2-carboxamide is CC(=O)N1C=CCC1C(N)=O.
What is the InChIKey of 1-acetyl-2,3-dihydropyrrole-2-carboxamide?
The InChIKey is HKZBCXDWWAAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h2,4,6H,3H2,1H3,(H2,8,11).
What are the key properties of 1-acetyl-2,3-dihydropyrrole-2-carboxamide?
1-acetyl-2,3-dihydropyrrole-2-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 66755761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).