3-methylidene-1-propan-2-ylpyrrolidin-2-one

C8H13NO — CID 10129998

IUPAC3-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILESC=C1CCN(C(C)C)C1=O
InChIInChI=1S/C8H13NO/c1-6(2)9-5-4-7(3)8(9)10/h6H,3-5H2,1-2H3
InChIKeyACOUENYDWAONBH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

About 3-methylidene-1-propan-2-ylpyrrolidin-2-one

3-methylidene-1-propan-2-ylpyrrolidin-2-one (PubChem CID 10129998) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methylidene-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-methylidene-1-propan-2-ylpyrrolidin-2-one
PubChem CID10129998
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILESC=C1CCN(C(C)C)C1=O
InChIInChI=1S/C8H13NO/c1-6(2)9-5-4-7(3)8(9)10/h6H,3-5H2,1-2H3
InChIKeyACOUENYDWAONBH-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
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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Related Compounds

1-Methyl-3-methylidenepyrrolidin-2-one
CID 10844354
1-(2-Methylacryloyl)pyrrolidin-2-one
CID 21867967
N-methallylpyrrolidone
CID 558439
1-(2-Methyl-1-oxo-2-propenyl)pyrrolidine
CID 10236010
3-[1-Chloro-meth-(e)-ylidene]-1-methyl-pyrrolidin-2-one
CID 13552236
N-allylitaconimide
CID 89137080
(3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidine-2,5-dione
CID 155351023
Propenamide, N,N,2-triethyl-
CID 587676
(3Z)-1-(2-methylpropyl)-3-(tributylstannylmethylidene)pyrrolidin-2-one
CID 11464880
1-Cyclopentyl-4-methylidenepyrrolidin-2-one
CID 138969230
1-Tert-butyl-4-methylidenepyrrolidin-2-one
CID 138969437
1,4-Dimethyl-3-methylidenepyrrolidin-2-one
CID 12294828

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-methylidene-1-propan-2-ylpyrrolidin-2-one (CID 10129998) is 3-methylidene-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-methylidene-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-methylidene-1-propan-2-ylpyrrolidin-2-one is C=C1CCN(C(C)C)C1=O.
What is the InChIKey of 3-methylidene-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is ACOUENYDWAONBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)9-5-4-7(3)8(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-1-propan-2-ylpyrrolidin-2-one?
3-methylidene-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 10129998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).