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

C10H15NO2 — CID 134925022

IUPAC4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCNC(=O)C1CC(C)CC1=O
InChIInChI=1S/C10H15NO2/c1-3-4-11-10(13)8-5-7(2)6-9(8)12/h3,7-8H,1,4-6H2,2H3,(H,11,13)
InChIKeyJFVIHZHEPTXLFP-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.90
Rot. Bonds3

About 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide

4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 134925022) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
PubChem CID134925022
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCNC(=O)C1CC(C)CC1=O
InChIInChI=1S/C10H15NO2/c1-3-4-11-10(13)8-5-7(2)6-9(8)12/h3,7-8H,1,4-6H2,2H3,(H,11,13)
InChIKeyJFVIHZHEPTXLFP-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.90
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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Related Compounds

2-oxo-N-pentylcyclopentane-1-carboxamide
CID 57398075
N-Butyl-2-oxocyclopentanecarboxamide
CID 4115490
N-prop-2-enylcyclopentanecarboxamide
CID 4613490
4,4-Dimethyl-2-oxo-N-(prop-2-en-1-yl)cyclopentane-1-carboxamide
CID 13900856
2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900860
4,4-dimethyl-2-oxo-N,N-bis(prop-2-enyl)cyclopentane-1-carboxamide
CID 13900861
3-fluoro-N-prop-2-enylcyclopentane-1-carboxamide
CID 130708195
N-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
CID 10954142
2-oxo-N-propylcyclopentane-1-carboxamide
CID 20074516
2-oxo-N-prop-2-enylcyclopentane-1-carboxamide
CID 70036552
N-Ethyl-2-oxocyclopentane-1-carboxamide
CID 71371979
5-methyl-2-oxo-N-prop-2-enylhexanamide
CID 117754960

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide (CID 134925022) is 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide is C=CCNC(=O)C1CC(C)CC1=O.
What is the InChIKey of 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is JFVIHZHEPTXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-11-10(13)8-5-7(2)6-9(8)12/h3,7-8H,1,4-6H2,2H3,(H,11,13).
What are the key properties of 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide?
4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 134925022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).