1-methyl-4-pentanoylpyrrolidin-2-one

C10H17NO2 — CID 139447430

IUPAC1-methyl-4-pentanoylpyrrolidin-2-one
SMILESCCCCC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C10H17NO2/c1-3-4-5-9(12)8-6-10(13)11(2)7-8/h8H,3-7H2,1-2H3
InChIKeyNSFBMBJSWHETMZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds4

About 1-methyl-4-pentanoylpyrrolidin-2-one

1-methyl-4-pentanoylpyrrolidin-2-one (PubChem CID 139447430) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-4-pentanoylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-pentanoylpyrrolidin-2-one
PubChem CID139447430
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-methyl-4-pentanoylpyrrolidin-2-one
SMILESCCCCC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C10H17NO2/c1-3-4-5-9(12)8-6-10(13)11(2)7-8/h8H,3-7H2,1-2H3
InChIKeyNSFBMBJSWHETMZ-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
2-ethylhexyl 1-methyl-5-oxopyrrolidine-3-carboxylate
CID 54759486
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61022712
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pentanoylpyrrolidin-2-one?
The IUPAC name of 1-methyl-4-pentanoylpyrrolidin-2-one (CID 139447430) is 1-methyl-4-pentanoylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-pentanoylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-pentanoylpyrrolidin-2-one is CCCCC(=O)C1CC(=O)N(C)C1.
What is the InChIKey of 1-methyl-4-pentanoylpyrrolidin-2-one?
The InChIKey is NSFBMBJSWHETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-9(12)8-6-10(13)11(2)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-pentanoylpyrrolidin-2-one?
1-methyl-4-pentanoylpyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pentanoylpyrrolidin-2-one is sourced from PubChem (CID 139447430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).