5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one

C10H15NO — CID 12543534

IUPAC5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C1CC(C)(C)N(C(=C)C)C1=O
InChIInChI=1S/C10H15NO/c1-7(2)11-9(12)8(3)6-10(11,4)5/h1,3,6H2,2,4-5H3
InChIKeyYUKRGKDJCRUBRW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds1

About 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one

5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one (PubChem CID 12543534) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one
PubChem CID12543534
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C1CC(C)(C)N(C(=C)C)C1=O
InChIInChI=1S/C10H15NO/c1-7(2)11-9(12)8(3)6-10(11,4)5/h1,3,6H2,2,4-5H3
InChIKeyYUKRGKDJCRUBRW-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one (CID 12543534) is 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one is C=C1CC(C)(C)N(C(=C)C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one?
The InChIKey is YUKRGKDJCRUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)11-9(12)8(3)6-10(11,4)5/h1,3,6H2,2,4-5H3.
What are the key properties of 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one?
5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-methylidene-1-prop-1-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 12543534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).