1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one

C11H17NO3 — CID 71021984

IUPAC1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)C1CCC(O)CC1
InChIInChI=1S/C11H17NO3/c13-9-5-3-8(4-6-9)11(15)12-7-1-2-10(12)14/h8-9,13H,1-7H2
InChIKeyKXUHUTBALWEJIL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.69
Rot. Bonds1

About 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one

1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one (PubChem CID 71021984) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one
PubChem CID71021984
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)C1CCC(O)CC1
InChIInChI=1S/C11H17NO3/c13-9-5-3-8(4-6-9)11(15)12-7-1-2-10(12)14/h8-9,13H,1-7H2
InChIKeyKXUHUTBALWEJIL-UHFFFAOYSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one (CID 71021984) is 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one is O=C1CCCN1C(=O)C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one?
The InChIKey is KXUHUTBALWEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-5-3-8(4-6-9)11(15)12-7-1-2-10(12)14/h8-9,13H,1-7H2.
What are the key properties of 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one?
1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71021984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).