5-cyclohexylidene-4-hydroxypyrrol-2-one

C10H13NO2 — CID 54711017

IUPAC5-cyclohexylidene-4-hydroxypyrrol-2-one
SMILESO=C1C=C(O)C(=C2CCCCC2)N1
InChIInChI=1S/C10H13NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h6,12H,1-5H2,(H,11,13)
InChIKeyOJBCMZSKXVGELK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.78
Rot. Bonds

About 5-cyclohexylidene-4-hydroxypyrrol-2-one

5-cyclohexylidene-4-hydroxypyrrol-2-one (PubChem CID 54711017) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-cyclohexylidene-4-hydroxypyrrol-2-one.

Molecular Properties

Compound Name5-cyclohexylidene-4-hydroxypyrrol-2-one
PubChem CID54711017
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-cyclohexylidene-4-hydroxypyrrol-2-one
SMILESO=C1C=C(O)C(=C2CCCCC2)N1
InChIInChI=1S/C10H13NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h6,12H,1-5H2,(H,11,13)
InChIKeyOJBCMZSKXVGELK-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylidene-4-hydroxypyrrol-2-one?
The IUPAC name of 5-cyclohexylidene-4-hydroxypyrrol-2-one (CID 54711017) is 5-cyclohexylidene-4-hydroxypyrrol-2-one.
What is the SMILES notation for 5-cyclohexylidene-4-hydroxypyrrol-2-one?
The canonical SMILES for 5-cyclohexylidene-4-hydroxypyrrol-2-one is O=C1C=C(O)C(=C2CCCCC2)N1.
What is the InChIKey of 5-cyclohexylidene-4-hydroxypyrrol-2-one?
The InChIKey is OJBCMZSKXVGELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-8-6-9(13)11-10(8)7-4-2-1-3-5-7/h6,12H,1-5H2,(H,11,13).
What are the key properties of 5-cyclohexylidene-4-hydroxypyrrol-2-one?
5-cyclohexylidene-4-hydroxypyrrol-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylidene-4-hydroxypyrrol-2-one is sourced from PubChem (CID 54711017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).