1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one

C14H26N2O2 — CID 22753024

IUPAC1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one
SMILESCCN(CC)C1C(=O)N(C2CCCCC2)CC1O
InChIInChI=1S/C14H26N2O2/c1-3-15(4-2)13-12(17)10-16(14(13)18)11-8-6-5-7-9-11/h11-13,17H,3-10H2,1-2H3
InChIKeyJTERXXVAWVCQJF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.23
Rot. Bonds4

About 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one

1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one (PubChem CID 22753024) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one
PubChem CID22753024
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one
SMILESCCN(CC)C1C(=O)N(C2CCCCC2)CC1O
InChIInChI=1S/C14H26N2O2/c1-3-15(4-2)13-12(17)10-16(14(13)18)11-8-6-5-7-9-11/h11-13,17H,3-10H2,1-2H3
InChIKeyJTERXXVAWVCQJF-UHFFFAOYSA-N
XLogP1.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one (CID 22753024) is 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one is CCN(CC)C1C(=O)N(C2CCCCC2)CC1O.
What is the InChIKey of 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one?
The InChIKey is JTERXXVAWVCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-15(4-2)13-12(17)10-16(14(13)18)11-8-6-5-7-9-11/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one?
1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(diethylamino)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 22753024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).