1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one

C10H15NO2 — CID 91266852

IUPAC1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1C(=O)CC(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)6-10(13)11-8(3)4-5-9(11)12/h7H,3-6H2,1-2H3
InChIKeyWMQWTNXSIBDARP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one

1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one (PubChem CID 91266852) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one
PubChem CID91266852
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1C(=O)CC(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)6-10(13)11-8(3)4-5-9(11)12/h7H,3-6H2,1-2H3
InChIKeyWMQWTNXSIBDARP-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2,5-dimethylidenepyrrolidin-1-yl)-3-methylbutan-2-one
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2-(3-methylbutanoyl)cyclobutan-1-one
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formaldehyde;1-hydroxy-5-methylidenepyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one (CID 91266852) is 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one is C=C1CCC(=O)N1C(=O)CC(C)C.
What is the InChIKey of 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is WMQWTNXSIBDARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)6-10(13)11-8(3)4-5-9(11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one?
1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 91266852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).