3-cyclopent-3-en-1-ylpropanamide

C8H13NO — CID 57236539

IUPAC3-cyclopent-3-en-1-ylpropanamide
SMILESNC(=O)CCC1CC=CC1
InChIInChI=1S/C8H13NO/c9-8(10)6-5-7-3-1-2-4-7/h1-2,7H,3-6H2,(H2,9,10)
InChIKeyNRAJYQVJBUNRAU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds3

About 3-cyclopent-3-en-1-ylpropanamide

3-cyclopent-3-en-1-ylpropanamide (PubChem CID 57236539) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-cyclopent-3-en-1-ylpropanamide.

Molecular Properties

Compound Name3-cyclopent-3-en-1-ylpropanamide
PubChem CID57236539
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-cyclopent-3-en-1-ylpropanamide
SMILESNC(=O)CCC1CC=CC1
InChIInChI=1S/C8H13NO/c9-8(10)6-5-7-3-1-2-4-7/h1-2,7H,3-6H2,(H2,9,10)
InChIKeyNRAJYQVJBUNRAU-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-cyclopent-3-en-1-ylpropanamide?
The IUPAC name of 3-cyclopent-3-en-1-ylpropanamide (CID 57236539) is 3-cyclopent-3-en-1-ylpropanamide.
What is the SMILES notation for 3-cyclopent-3-en-1-ylpropanamide?
The canonical SMILES for 3-cyclopent-3-en-1-ylpropanamide is NC(=O)CCC1CC=CC1.
What is the InChIKey of 3-cyclopent-3-en-1-ylpropanamide?
The InChIKey is NRAJYQVJBUNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(10)6-5-7-3-1-2-4-7/h1-2,7H,3-6H2,(H2,9,10).
What are the key properties of 3-cyclopent-3-en-1-ylpropanamide?
3-cyclopent-3-en-1-ylpropanamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-3-en-1-ylpropanamide is sourced from PubChem (CID 57236539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).