1-(2,2-dimethylhexyl)pyrrolidin-2-one

C12H23NO — CID 129135840

IUPAC1-(2,2-dimethylhexyl)pyrrolidin-2-one
SMILESCCCCC(C)(C)CN1CCCC1=O
InChIInChI=1S/C12H23NO/c1-4-5-8-12(2,3)10-13-9-6-7-11(13)14/h4-10H2,1-3H3
InChIKeyXDIPSMYYESGKEC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.83
Rot. Bonds5

About 1-(2,2-dimethylhexyl)pyrrolidin-2-one

1-(2,2-dimethylhexyl)pyrrolidin-2-one (PubChem CID 129135840) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,2-dimethylhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylhexyl)pyrrolidin-2-one
PubChem CID129135840
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,2-dimethylhexyl)pyrrolidin-2-one
SMILESCCCCC(C)(C)CN1CCCC1=O
InChIInChI=1S/C12H23NO/c1-4-5-8-12(2,3)10-13-9-6-7-11(13)14/h4-10H2,1-3H3
InChIKeyXDIPSMYYESGKEC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 104549829
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-(4,7,7-trimethylundecan-5-yl)pyrrolidin-2-one
CID 166786750
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
diethyl-[4-(ethylamino)-1-(2-oxopyrrolidin-1-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]butan-2-yl]-tetradecylazanium
CID 70386681
dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 14093945

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylhexyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylhexyl)pyrrolidin-2-one (CID 129135840) is 1-(2,2-dimethylhexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylhexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylhexyl)pyrrolidin-2-one is CCCCC(C)(C)CN1CCCC1=O.
What is the InChIKey of 1-(2,2-dimethylhexyl)pyrrolidin-2-one?
The InChIKey is XDIPSMYYESGKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-8-12(2,3)10-13-9-6-7-11(13)14/h4-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylhexyl)pyrrolidin-2-one?
1-(2,2-dimethylhexyl)pyrrolidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylhexyl)pyrrolidin-2-one is sourced from PubChem (CID 129135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).