N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide

C13H19NO2 — CID 143830430

IUPACN-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide
SMILESC=CC(NC(=O)C1CCCC1)C(=O)C1CC1
InChIInChI=1S/C13H19NO2/c1-2-11(12(15)9-7-8-9)14-13(16)10-5-3-4-6-10/h2,9-11H,1,3-8H2,(H,14,16)
InChIKeyYJHVJMSSNCQBHP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds5

About N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide

N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide (PubChem CID 143830430) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide
PubChem CID143830430
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide
SMILESC=CC(NC(=O)C1CCCC1)C(=O)C1CC1
InChIInChI=1S/C13H19NO2/c1-2-11(12(15)9-7-8-9)14-13(16)10-5-3-4-6-10/h2,9-11H,1,3-8H2,(H,14,16)
InChIKeyYJHVJMSSNCQBHP-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
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 N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide (CID 143830430) is N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide is C=CC(NC(=O)C1CCCC1)C(=O)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide?
The InChIKey is YJHVJMSSNCQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-11(12(15)9-7-8-9)14-13(16)10-5-3-4-6-10/h2,9-11H,1,3-8H2,(H,14,16).
What are the key properties of N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide?
N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-1-oxobut-3-en-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 143830430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).