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

C7H10N2O2 — CID 67178162

IUPACN-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(=O)NC(=O)C1C=CCN1
InChIInChI=1S/C7H10N2O2/c1-5(10)9-7(11)6-3-2-4-8-6/h2-3,6,8H,4H2,1H3,(H,9,10,11)
InChIKeyAWGQBLRNSRWVKX-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.82
Rot. Bonds1

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

N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 67178162) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID67178162
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCC(=O)NC(=O)C1C=CCN1
InChIInChI=1S/C7H10N2O2/c1-5(10)9-7(11)6-3-2-4-8-6/h2-3,6,8H,4H2,1H3,(H,9,10,11)
InChIKeyAWGQBLRNSRWVKX-UHFFFAOYSA-N
XLogP-0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 67178162) is N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide is CC(=O)NC(=O)C1C=CCN1.
What is the InChIKey of N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is AWGQBLRNSRWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(10)9-7(11)6-3-2-4-8-6/h2-3,6,8H,4H2,1H3,(H,9,10,11).
What are the key properties of N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 67178162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).