1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one

C9H15NO — CID 11159429

IUPAC1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one
SMILESCC(C)=C(C)N1CCCC1=O
InChIInChI=1S/C9H15NO/c1-7(2)8(3)10-6-4-5-9(10)11/h4-6H2,1-3H3
InChIKeyIVVTVIZHOBJDMX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one

1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one (PubChem CID 11159429) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one
PubChem CID11159429
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one
SMILESCC(C)=C(C)N1CCCC1=O
InChIInChI=1S/C9H15NO/c1-7(2)8(3)10-6-4-5-9(10)11/h4-6H2,1-3H3
InChIKeyIVVTVIZHOBJDMX-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one (CID 11159429) is 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one is CC(C)=C(C)N1CCCC1=O.
What is the InChIKey of 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one?
The InChIKey is IVVTVIZHOBJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8(3)10-6-4-5-9(10)11/h4-6H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one?
1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 11159429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).