5-(2-methylpropyl)-4-propylpyrrolidin-2-one

C11H21NO — CID 66107021

IUPAC5-(2-methylpropyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)NC1CC(C)C
InChIInChI=1S/C11H21NO/c1-4-5-9-7-11(13)12-10(9)6-8(2)3/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyJOLLPUCKCDPHNK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds4

About 5-(2-methylpropyl)-4-propylpyrrolidin-2-one

5-(2-methylpropyl)-4-propylpyrrolidin-2-one (PubChem CID 66107021) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-propylpyrrolidin-2-one
PubChem CID66107021
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-(2-methylpropyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)NC1CC(C)C
InChIInChI=1S/C11H21NO/c1-4-5-9-7-11(13)12-10(9)6-8(2)3/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyJOLLPUCKCDPHNK-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82602134
4,5-diethylpyrrolidin-2-one
CID 66107645
(4S)-4-propylazetidin-2-one
CID 18603540
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 66106592
4-(3-chloro-5-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 114455007
4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 66102587
6-methyl-5-propylpiperidin-2-one
CID 176903708
4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096
5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66109178
(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one
CID 15315592

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 5-(2-methylpropyl)-4-propylpyrrolidin-2-one (CID 66107021) is 5-(2-methylpropyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 5-(2-methylpropyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)NC1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-4-propylpyrrolidin-2-one?
The InChIKey is JOLLPUCKCDPHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-9-7-11(13)12-10(9)6-8(2)3/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-methylpropyl)-4-propylpyrrolidin-2-one?
5-(2-methylpropyl)-4-propylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 66107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).