1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one

C8H13NO2 — CID 163644073

IUPAC1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one
SMILESCC1OC1C1CCC(=O)N1C
InChIInChI=1S/C8H13NO2/c1-5-8(11-5)6-3-4-7(10)9(6)2/h5-6,8H,3-4H2,1-2H3
InChIKeyIGTBYMMIQMVMMV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.39
Rot. Bonds1

About 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one

1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one (PubChem CID 163644073) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one
PubChem CID163644073
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one
SMILESCC1OC1C1CCC(=O)N1C
InChIInChI=1S/C8H13NO2/c1-5-8(11-5)6-3-4-7(10)9(6)2/h5-6,8H,3-4H2,1-2H3
InChIKeyIGTBYMMIQMVMMV-UHFFFAOYSA-N
XLogP0.39
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 141392273
1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
CID 170740192
6-methyl-1-azabicyclo[3.1.0]hexan-2-one
CID 143719689
5-bromo-1-methylpyrrolidin-2-one
CID 123191216
(4S,6R)-1,4,6-trimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-2-one
CID 158379552
1,5-dimethylpyrrolidin-2-one;nitric acid
CID 69230280
5-(difluoromethyl)-1-methylpyrrolidin-2-one
CID 67256606
(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10606815
(3aR,7aR)-1-benzyl-4-methyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460695
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
CID 55301160
(5S,8R,8aS)-8-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carbaldehyde
CID 130905591

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one (CID 163644073) is 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one is CC1OC1C1CCC(=O)N1C.
What is the InChIKey of 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one?
The InChIKey is IGTBYMMIQMVMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-8(11-5)6-3-4-7(10)9(6)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one?
1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methyloxiran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 163644073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).