1-(4,4-dimethylpentyl)pyrrolidin-2-one

C11H21NO — CID 23542009

IUPAC1-(4,4-dimethylpentyl)pyrrolidin-2-one
SMILESCC(C)(C)CCCN1CCCC1=O
InChIInChI=1S/C11H21NO/c1-11(2,3)7-5-9-12-8-4-6-10(12)13/h4-9H2,1-3H3
InChIKeyKIILBDFFDQXZRC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds3

About 1-(4,4-dimethylpentyl)pyrrolidin-2-one

1-(4,4-dimethylpentyl)pyrrolidin-2-one (PubChem CID 23542009) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)pyrrolidin-2-one
PubChem CID23542009
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4,4-dimethylpentyl)pyrrolidin-2-one
SMILESCC(C)(C)CCCN1CCCC1=O
InChIInChI=1S/C11H21NO/c1-11(2,3)7-5-9-12-8-4-6-10(12)13/h4-9H2,1-3H3
InChIKeyKIILBDFFDQXZRC-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
CID 65257372
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
CID 65251724
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)pyrrolidin-2-one?
The IUPAC name of 1-(4,4-dimethylpentyl)pyrrolidin-2-one (CID 23542009) is 1-(4,4-dimethylpentyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4,4-dimethylpentyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4,4-dimethylpentyl)pyrrolidin-2-one is CC(C)(C)CCCN1CCCC1=O.
What is the InChIKey of 1-(4,4-dimethylpentyl)pyrrolidin-2-one?
The InChIKey is KIILBDFFDQXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)7-5-9-12-8-4-6-10(12)13/h4-9H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpentyl)pyrrolidin-2-one?
1-(4,4-dimethylpentyl)pyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)pyrrolidin-2-one is sourced from PubChem (CID 23542009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).