2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide

C10H13NO2 — CID 12869552

IUPAC2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide
SMILESCC(C)=C1CC(C)=C(C(N)=O)C1=O
InChIInChI=1S/C10H13NO2/c1-5(2)7-4-6(3)8(9(7)12)10(11)13/h4H2,1-3H3,(H2,11,13)
InChIKeyANCVTQOXXFNTLC-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide

2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide (PubChem CID 12869552) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide
PubChem CID12869552
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide
SMILESCC(C)=C1CC(C)=C(C(N)=O)C1=O
InChIInChI=1S/C10H13NO2/c1-5(2)7-4-6(3)8(9(7)12)10(11)13/h4H2,1-3H3,(H2,11,13)
InChIKeyANCVTQOXXFNTLC-UHFFFAOYSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide?
The IUPAC name of 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide (CID 12869552) is 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide is CC(C)=C1CC(C)=C(C(N)=O)C1=O.
What is the InChIKey of 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide?
The InChIKey is ANCVTQOXXFNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-5(2)7-4-6(3)8(9(7)12)10(11)13/h4H2,1-3H3,(H2,11,13).
What are the key properties of 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide?
2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-4-propan-2-ylidenecyclopentene-1-carboxamide is sourced from PubChem (CID 12869552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).