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

C11H19NO2 — CID 130599733

IUPAC3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESO=C1NCCC1CC1CCCC(O)C1
InChIInChI=1S/C11H19NO2/c13-10-3-1-2-8(7-10)6-9-4-5-12-11(9)14/h8-10,13H,1-7H2,(H,12,14)
InChIKeyCWPAGZIJCHXCBV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.06
Rot. Bonds2

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

3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 130599733) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID130599733
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESO=C1NCCC1CC1CCCC(O)C1
InChIInChI=1S/C11H19NO2/c13-10-3-1-2-8(7-10)6-9-4-5-12-11(9)14/h8-10,13H,1-7H2,(H,12,14)
InChIKeyCWPAGZIJCHXCBV-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 130599733) is 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is O=C1NCCC1CC1CCCC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is CWPAGZIJCHXCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-3-1-2-8(7-10)6-9-4-5-12-11(9)14/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130599733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).