4-methyl-1-(2-oxopropyl)pyrrolidin-2-one

C8H13NO2 — CID 63100384

IUPAC4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CN1CC(C)CC1=O
InChIInChI=1S/C8H13NO2/c1-6-3-8(11)9(4-6)5-7(2)10/h6H,3-5H2,1-2H3
InChIKeyOZNMKENSHVNMAV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds2

About 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one

4-methyl-1-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 63100384) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
PubChem CID63100384
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CN1CC(C)CC1=O
InChIInChI=1S/C8H13NO2/c1-6-3-8(11)9(4-6)5-7(2)10/h6H,3-5H2,1-2H3
InChIKeyOZNMKENSHVNMAV-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
4-methyl-1-(9-sulfanylnonyl)pyrrolidin-2-one
CID 105344613
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 55177462
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
CID 63101369
N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63103199
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277
4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 63102645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one (CID 63100384) is 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CN1CC(C)CC1=O.
What is the InChIKey of 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is OZNMKENSHVNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-8(11)9(4-6)5-7(2)10/h6H,3-5H2,1-2H3.
What are the key properties of 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one?
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 63100384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).