N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide

C12H17NO2 — CID 15548462

IUPACN,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
SMILESC=CCN(C)C(=O)C1=CC(C)(C)CC1=O
InChIInChI=1S/C12H17NO2/c1-5-6-13(4)11(15)9-7-12(2,3)8-10(9)14/h5,7H,1,6,8H2,2-4H3
InChIKeyURCSTNYEYOLGNB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.56
Rot. Bonds3

About N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide

N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide (PubChem CID 15548462) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
PubChem CID15548462
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
SMILESC=CCN(C)C(=O)C1=CC(C)(C)CC1=O
InChIInChI=1S/C12H17NO2/c1-5-6-13(4)11(15)9-7-12(2,3)8-10(9)14/h5,7H,1,6,8H2,2-4H3
InChIKeyURCSTNYEYOLGNB-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
The IUPAC name of N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide (CID 15548462) is N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide.
What is the SMILES notation for N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
The canonical SMILES for N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide is C=CCN(C)C(=O)C1=CC(C)(C)CC1=O.
What is the InChIKey of N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
The InChIKey is URCSTNYEYOLGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-6-13(4)11(15)9-7-12(2,3)8-10(9)14/h5,7H,1,6,8H2,2-4H3.
What are the key properties of N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide?
N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide has a molecular weight of 207.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide is sourced from PubChem (CID 15548462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).