1-Allyl-5-methyl-2-pyrrolidinone

C8H13NO — CID 14364333

IUPAC5-methyl-1-prop-2-enylpyrrolidin-2-one
SMILESCC1CCC(=O)N1CC=C
InChIInChI=1S/C8H13NO/c1-3-6-9-7(2)4-5-8(9)10/h3,7H,1,4-6H2,2H3
InChIKeyMOOZQDBODGJLNI-UHFFFAOYSA-N
MW139.19 g/mol
LogP0.90
Rot. Bonds2

About 1-Allyl-5-methyl-2-pyrrolidinone

1-Allyl-5-methyl-2-pyrrolidinone (PubChem CID 14364333) has the molecular formula C8H13NO and a molecular weight of 139.19 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-Allyl-5-methyl-2-pyrrolidinone
PubChem CID14364333
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
Exact Mass139.10
IUPAC Name5-methyl-1-prop-2-enylpyrrolidin-2-one
SMILESCC1CCC(=O)N1CC=C
InChIInChI=1S/C8H13NO/c1-3-6-9-7(2)4-5-8(9)10/h3,7H,1,4-6H2,2H3
InChIKeyMOOZQDBODGJLNI-UHFFFAOYSA-N
XLogP0.90
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity153

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Allyl)pyrrolidin-2-one
CID 75897
N-allyl-5-iodomethyl-2-pyrrolidinone
CID 14364321
N-allyl-N-methylpentanamide
CID 135391089
5-Ethenyl-3,3-difluoro-1-propylpyrrolidin-2-one
CID 123811739
5-Methyl-1-propylpyrrolidin-2-one
CID 11240542
(5S)-1-pent-4-enyl-5-prop-1-ynylpyrrolidin-2-one
CID 10750240
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]hept-6-en-1-one
CID 14784821
1-But-3-enyl-5-ethenylpyrrolidin-2-one
CID 14942501
1-[(E)-but-2-enyl]-5-ethenylpyrrolidin-2-one
CID 14942504
(5S)-5-(1-iodoethenyl)-1-pent-4-enylpyrrolidin-2-one
CID 16680301
(9Z,10aR)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 44598023
(9Z,10aS)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 45103030

Frequently Asked Questions

What is the IUPAC name of 1-Allyl-5-methyl-2-pyrrolidinone?
The IUPAC name of 1-Allyl-5-methyl-2-pyrrolidinone (CID 14364333) is 5-methyl-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-Allyl-5-methyl-2-pyrrolidinone?
The canonical SMILES for 1-Allyl-5-methyl-2-pyrrolidinone is CC1CCC(=O)N1CC=C.
What is the InChIKey of 1-Allyl-5-methyl-2-pyrrolidinone?
The InChIKey is MOOZQDBODGJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-6-9-7(2)4-5-8(9)10/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-Allyl-5-methyl-2-pyrrolidinone?
1-Allyl-5-methyl-2-pyrrolidinone has a molecular weight of 139.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Allyl-5-methyl-2-pyrrolidinone is sourced from PubChem (CID 14364333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).