(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one

C12H23NO — CID 131848123

IUPAC(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one
SMILESCCCCN1C(=O)[C@H](CCC)C[C@H]1C
InChIInChI=1S/C12H23NO/c1-4-6-8-13-10(3)9-11(7-5-2)12(13)14/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyYQJRQOSRVLPZBQ-GHMZBOCLSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds5

About (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one

(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one (PubChem CID 131848123) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one
PubChem CID131848123
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one
SMILESCCCCN1C(=O)[C@H](CCC)C[C@H]1C
InChIInChI=1S/C12H23NO/c1-4-6-8-13-10(3)9-11(7-5-2)12(13)14/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyYQJRQOSRVLPZBQ-GHMZBOCLSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hexyl-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
CID 4978847
(3R,5S)-3-hexyl-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
CID 40517224
1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one
CID 15563606
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
5,7-dibutyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118596999
1,3,4-tributylimidazolidin-2-one
CID 175192911
1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64882753
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
1,5,7-trimethyl-6-propanoyl-3-propylazepan-2-one
CID 143541081
ethyl 2-[(3S,5R)-5-methyl-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]acetate
CID 54116747
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
3-butyl-1-heptylaziridin-2-one
CID 23178730

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one?
The IUPAC name of (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one (CID 131848123) is (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one?
The canonical SMILES for (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one is CCCCN1C(=O)[C@H](CCC)C[C@H]1C.
What is the InChIKey of (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one?
The InChIKey is YQJRQOSRVLPZBQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-8-13-10(3)9-11(7-5-2)12(13)14/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one?
(3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-butyl-5-methyl-3-propylpyrrolidin-2-one is sourced from PubChem (CID 131848123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).