2-oxo-N-prop-2-enylcyclopentane-1-carboxamide

C9H13NO2 — CID 70036552

IUPAC2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCNC(=O)C1CCCC1=O
InChIInChI=1S/C9H13NO2/c1-2-6-10-9(12)7-4-3-5-8(7)11/h2,7H,1,3-6H2,(H,10,12)
InChIKeyDZCUGFLAGYFQIB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.66
Rot. Bonds3

About 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide

2-oxo-N-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 70036552) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
PubChem CID70036552
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCNC(=O)C1CCCC1=O
InChIInChI=1S/C9H13NO2/c1-2-6-10-9(12)7-4-3-5-8(7)11/h2,7H,1,3-6H2,(H,10,12)
InChIKeyDZCUGFLAGYFQIB-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide (CID 70036552) is 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide is C=CCNC(=O)C1CCCC1=O.
What is the InChIKey of 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is DZCUGFLAGYFQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-6-10-9(12)7-4-3-5-8(7)11/h2,7H,1,3-6H2,(H,10,12).
What are the key properties of 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
2-oxo-N-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 70036552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).