1-(3,3-dimethylbutyl)pyrrolidin-2-one

C10H19NO — CID 10909976

IUPAC1-(3,3-dimethylbutyl)pyrrolidin-2-one
SMILESCC(C)(C)CCN1CCCC1=O
InChIInChI=1S/C10H19NO/c1-10(2,3)6-8-11-7-4-5-9(11)12/h4-8H2,1-3H3
InChIKeyGKYALKYZPZZOBF-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds2

About 1-(3,3-dimethylbutyl)pyrrolidin-2-one

1-(3,3-dimethylbutyl)pyrrolidin-2-one (PubChem CID 10909976) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)pyrrolidin-2-one
PubChem CID10909976
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3,3-dimethylbutyl)pyrrolidin-2-one
SMILESCC(C)(C)CCN1CCCC1=O
InChIInChI=1S/C10H19NO/c1-10(2,3)6-8-11-7-4-5-9(11)12/h4-8H2,1-3H3
InChIKeyGKYALKYZPZZOBF-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
2-Pyrrolidinone, 1-butyl-
CID 18984
1,3-Dimethylpyrrolidin-2-one
CID 209257
2-Pyrrolidinone, 1-[3-(dimethylamino)propyl]-
CID 81848
1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin-2-one
CID 14964499
Pyrrolidine, 1-(1-oxobutyl)-
CID 303117
1-Propyl-pyrrolidin-2-one
CID 566544
(3S)-1-[4-(dimethylamino)but-2-ynyl]-3-methylpyrrolidin-2-one
CID 14964497
(3R)-1-[4-(dimethylamino)but-2-ynyl]-3-methylpyrrolidin-2-one
CID 14964498
1-(2,2-Dimethylpropanoyl)pyrrolidin-2-one
CID 11008332
N-tert-Butyl-2-pyrrolidone
CID 88653

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,3-dimethylbutyl)pyrrolidin-2-one (CID 10909976) is 1-(3,3-dimethylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutyl)pyrrolidin-2-one is CC(C)(C)CCN1CCCC1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)pyrrolidin-2-one?
The InChIKey is GKYALKYZPZZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)6-8-11-7-4-5-9(11)12/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)pyrrolidin-2-one?
1-(3,3-dimethylbutyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 10909976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).