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

C10H19NO — CID 163551837

IUPAC5-(3,3-dimethylbutyl)pyrrolidin-2-one
SMILESCC(C)(C)CCC1CCC(=O)N1
InChIInChI=1S/C10H19NO/c1-10(2,3)7-6-8-4-5-9(12)11-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyQLFDXNNKHISSSL-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds2

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

5-(3,3-dimethylbutyl)pyrrolidin-2-one (PubChem CID 163551837) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)pyrrolidin-2-one
PubChem CID163551837
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(3,3-dimethylbutyl)pyrrolidin-2-one
SMILESCC(C)(C)CCC1CCC(=O)N1
InChIInChI=1S/C10H19NO/c1-10(2,3)7-6-8-4-5-9(12)11-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyQLFDXNNKHISSSL-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-[tert-butyl(dimethyl)-λ4-sulfanyl]ethyl]pyrrolidin-2-one
CID 138547815
5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
CID 171329412
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
5-pent-3-ynylpyrrolidin-2-one
CID 11217347
5-but-3-ynylpyrrolidin-2-one
CID 15531515
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
5-(2-piperazin-1-ylethyl)pyrrolidin-2-one
CID 83880155
4-[(2R)-5-oxopyrrolidin-2-yl]butanal
CID 11423711
tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
CID 11148606
azane;2-methylbutan-2-amine;5-octadec-9-enylpyrrolidin-2-one;hydrochloride
CID 173171562
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
2-(5-oxopyrrolidin-2-yl)ethyl formate
CID 174662613

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)pyrrolidin-2-one?
The IUPAC name of 5-(3,3-dimethylbutyl)pyrrolidin-2-one (CID 163551837) is 5-(3,3-dimethylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3,3-dimethylbutyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3,3-dimethylbutyl)pyrrolidin-2-one is CC(C)(C)CCC1CCC(=O)N1.
What is the InChIKey of 5-(3,3-dimethylbutyl)pyrrolidin-2-one?
The InChIKey is QLFDXNNKHISSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)7-6-8-4-5-9(12)11-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 5-(3,3-dimethylbutyl)pyrrolidin-2-one?
5-(3,3-dimethylbutyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 163551837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).