1-acetyl-2,5-dihydropyrrole-2-carboxamide

C7H10N2O2 — CID 14159338

IUPAC1-acetyl-2,5-dihydropyrrole-2-carboxamide
SMILESCC(=O)N1CC=CC1C(N)=O
InChIInChI=1S/C7H10N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h2-3,6H,4H2,1H3,(H2,8,11)
InChIKeyDQWXFVYPYRKGDY-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.74
Rot. Bonds1

About 1-acetyl-2,5-dihydropyrrole-2-carboxamide

1-acetyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 14159338) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-acetyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID14159338
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-acetyl-2,5-dihydropyrrole-2-carboxamide
SMILESCC(=O)N1CC=CC1C(N)=O
InChIInChI=1S/C7H10N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h2-3,6H,4H2,1H3,(H2,8,11)
InChIKeyDQWXFVYPYRKGDY-UHFFFAOYSA-N
XLogP-0.74
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 ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-acetyl-2,5-dihydropyrrole-2-carboxamide (CID 14159338) is 1-acetyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-acetyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-acetyl-2,5-dihydropyrrole-2-carboxamide is CC(=O)N1CC=CC1C(N)=O.
What is the InChIKey of 1-acetyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is DQWXFVYPYRKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h2-3,6H,4H2,1H3,(H2,8,11).
What are the key properties of 1-acetyl-2,5-dihydropyrrole-2-carboxamide?
1-acetyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 14159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).