1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one

C11H19NO2 — CID 106131668

IUPAC1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCC(O)C1
InChIInChI=1S/C11H19NO2/c13-10-4-1-3-9(7-10)8-12-6-2-5-11(12)14/h9-10,13H,1-8H2
InChIKeyOQWJGDHQVKAKST-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds2

About 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one

1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 106131668) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID106131668
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCC(O)C1
InChIInChI=1S/C11H19NO2/c13-10-4-1-3-9(7-10)8-12-6-2-5-11(12)14/h9-10,13H,1-8H2
InChIKeyOQWJGDHQVKAKST-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 106131668) is 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is OQWJGDHQVKAKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-4-1-3-9(7-10)8-12-6-2-5-11(12)14/h9-10,13H,1-8H2.
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 106131668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).