5-(2,3-dimethylbutyl)pyrrolidin-2-one

C10H19NO — CID 130635210

IUPAC5-(2,3-dimethylbutyl)pyrrolidin-2-one
SMILESCC(C)C(C)CC1CCC(=O)N1
InChIInChI=1S/C10H19NO/c1-7(2)8(3)6-9-4-5-10(12)11-9/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyMOMCLDPXVYOOGQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds3

About 5-(2,3-dimethylbutyl)pyrrolidin-2-one

5-(2,3-dimethylbutyl)pyrrolidin-2-one (PubChem CID 130635210) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(2,3-dimethylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,3-dimethylbutyl)pyrrolidin-2-one
PubChem CID130635210
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(2,3-dimethylbutyl)pyrrolidin-2-one
SMILESCC(C)C(C)CC1CCC(=O)N1
InChIInChI=1S/C10H19NO/c1-7(2)8(3)6-9-4-5-10(12)11-9/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyMOMCLDPXVYOOGQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,2-difluoroethyl)pyrrolidin-2-one
CID 67255419
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
5-(3-aminobutylsulfanylmethyl)pyrrolidin-2-one
CID 107530256
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
CID 105357507
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
(5-oxopyrrolidin-2-yl)methyl formate
CID 21221170
4,8-bis(2-methylbutyl)-1,5-diazocane-2,6-dione
CID 11335055
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,3-dimethylbutyl)pyrrolidin-2-one (CID 130635210) is 5-(2,3-dimethylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,3-dimethylbutyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,3-dimethylbutyl)pyrrolidin-2-one is CC(C)C(C)CC1CCC(=O)N1.
What is the InChIKey of 5-(2,3-dimethylbutyl)pyrrolidin-2-one?
The InChIKey is MOMCLDPXVYOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)8(3)6-9-4-5-10(12)11-9/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 5-(2,3-dimethylbutyl)pyrrolidin-2-one?
5-(2,3-dimethylbutyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 130635210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).