1-methyl-5-methylidenepyrrolidin-2-one

C6H9NO — CID 13462148

IUPAC1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1C
InChIInChI=1S/C6H9NO/c1-5-3-4-6(8)7(5)2/h1,3-4H2,2H3
InChIKeyZZDBHIVVDUTWJC-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.75
Rot. Bonds

About 1-methyl-5-methylidenepyrrolidin-2-one

1-methyl-5-methylidenepyrrolidin-2-one (PubChem CID 13462148) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-methyl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-methylidenepyrrolidin-2-one
PubChem CID13462148
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-methyl-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1C
InChIInChI=1S/C6H9NO/c1-5-3-4-6(8)7(5)2/h1,3-4H2,2H3
InChIKeyZZDBHIVVDUTWJC-UHFFFAOYSA-N
XLogP0.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-pent-1-enyl]pyrrolidin-2-one
CID 18954375
Propylvinylpyrrolidone
CID 54542267
1,3,3-Trimethyl-2-methylene-5-pyrrolidone
CID 89461222
1-Prop-1-en-2-ylpyrrolidin-2-one
CID 13847892
1-(2-Methylidenepyrrolidin-1-yl)ethanone
CID 13774186
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
2-Methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
CID 20704196
1,3-Dimethyl-5-methylidenepyrrolidin-2-one
CID 21050591
1-[(E)-but-2-en-2-yl]pyrrolidin-2-one
CID 21518592
1-Ethyl-5-methylidenepyrrolidin-2-one
CID 23088887
5-Methylidene-1-propan-2-ylpyrrolidin-2-one
CID 23088889
1-Pent-2-en-3-ylpyrrolidin-2-one
CID 53657339

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-methyl-5-methylidenepyrrolidin-2-one (CID 13462148) is 1-methyl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-methylidenepyrrolidin-2-one is C=C1CCC(=O)N1C.
What is the InChIKey of 1-methyl-5-methylidenepyrrolidin-2-one?
The InChIKey is ZZDBHIVVDUTWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-4-6(8)7(5)2/h1,3-4H2,2H3.
What are the key properties of 1-methyl-5-methylidenepyrrolidin-2-one?
1-methyl-5-methylidenepyrrolidin-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 13462148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).