5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide

C7H10N2O2 — CID 168824579

IUPAC5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(=O)C1=CCC(C(N)=O)N1
InChIInChI=1S/C7H10N2O2/c1-4(10)5-2-3-6(9-5)7(8)11/h2,6,9H,3H2,1H3,(H2,8,11)
InChIKeySDWVJMQNVKQCSM-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.69
Rot. Bonds2

About 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide

5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 168824579) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide
PubChem CID168824579
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(=O)C1=CCC(C(N)=O)N1
InChIInChI=1S/C7H10N2O2/c1-4(10)5-2-3-6(9-5)7(8)11/h2,6,9H,3H2,1H3,(H2,8,11)
InChIKeySDWVJMQNVKQCSM-UHFFFAOYSA-N
XLogP-0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-2,3-dihydro-1H-pyrrole-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 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide (CID 168824579) is 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide is CC(=O)C1=CCC(C(N)=O)N1.
What is the InChIKey of 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is SDWVJMQNVKQCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(10)5-2-3-6(9-5)7(8)11/h2,6,9H,3H2,1H3,(H2,8,11).
What are the key properties of 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide?
5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,3-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 168824579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).