4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one

C14H25NO2 — CID 165498655

IUPAC4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one
SMILESCCC1CC(=O)N(C2CC(O)CCC2(C)C)C1
InChIInChI=1S/C14H25NO2/c1-4-10-7-13(17)15(9-10)12-8-11(16)5-6-14(12,2)3/h10-12,16H,4-9H2,1-3H3
InChIKeyBOXFNBXCNBKIEF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.18
Rot. Bonds2

About 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one

4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one (PubChem CID 165498655) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one
PubChem CID165498655
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one
SMILESCCC1CC(=O)N(C2CC(O)CCC2(C)C)C1
InChIInChI=1S/C14H25NO2/c1-4-10-7-13(17)15(9-10)12-8-11(16)5-6-14(12,2)3/h10-12,16H,4-9H2,1-3H3
InChIKeyBOXFNBXCNBKIEF-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
CID 165497531
1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one
CID 165491790
4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one
CID 168503146
(6S,8R,8aS)-6-ethyl-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102151511
4-ethyl-1-phosphanylpyrrolidin-2-one
CID 123863905
1-cyclopropyl-4-ethylpiperidin-2-one
CID 153405056
3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 165498565
[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680137
3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
CID 163963632
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680112
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
CID 168662980

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one (CID 165498655) is 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one is CCC1CC(=O)N(C2CC(O)CCC2(C)C)C1.
What is the InChIKey of 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one?
The InChIKey is BOXFNBXCNBKIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-10-7-13(17)15(9-10)12-8-11(16)5-6-14(12,2)3/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one?
4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 165498655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).