3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide

C11H17NO2 — CID 11830330

IUPAC3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide
SMILESCC(C)NC(=O)C1=CC(C)(C)CC1=O
InChIInChI=1S/C11H17NO2/c1-7(2)12-10(14)8-5-11(3,4)6-9(8)13/h5,7H,6H2,1-4H3,(H,12,14)
InChIKeyGZDRSQVSCDZFEK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.44
Rot. Bonds2

About 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide

3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide (PubChem CID 11830330) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide
PubChem CID11830330
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide
SMILESCC(C)NC(=O)C1=CC(C)(C)CC1=O
InChIInChI=1S/C11H17NO2/c1-7(2)12-10(14)8-5-11(3,4)6-9(8)13/h5,7H,6H2,1-4H3,(H,12,14)
InChIKeyGZDRSQVSCDZFEK-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide?
The IUPAC name of 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide (CID 11830330) is 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide is CC(C)NC(=O)C1=CC(C)(C)CC1=O.
What is the InChIKey of 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide?
The InChIKey is GZDRSQVSCDZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)12-10(14)8-5-11(3,4)6-9(8)13/h5,7H,6H2,1-4H3,(H,12,14).
What are the key properties of 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide?
3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide is sourced from PubChem (CID 11830330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).