6-(hydroxymethylidene)cyclohex-2-en-1-one

C7H8O2 — CID 130858159

IUPAC6-(hydroxymethylidene)cyclohex-2-en-1-one
SMILESO=C1C=CCCC1=CO
InChIInChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h2,4-5,8H,1,3H2
InChIKeyNHMKWWHTFJLISO-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.35
Rot. Bonds

About 6-(hydroxymethylidene)cyclohex-2-en-1-one

6-(hydroxymethylidene)cyclohex-2-en-1-one (PubChem CID 130858159) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-(hydroxymethylidene)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(hydroxymethylidene)cyclohex-2-en-1-one
PubChem CID130858159
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name6-(hydroxymethylidene)cyclohex-2-en-1-one
SMILESO=C1C=CCCC1=CO
InChIInChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h2,4-5,8H,1,3H2
InChIKeyNHMKWWHTFJLISO-UHFFFAOYSA-N
XLogP1.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-5-fluoro-4-(hydroxymethylidene)cyclohex-2-en-1-one
CID 169195847
2-(3-Hydroxypropyl)cyclohexa-2,5-diene-1,4-dione
CID 21601689
9-hydroxy-1-oxo-1H-phenalene-2-carbaldehyde
CID 135692484
(6Z)-6-(hydroxymethylidene)-3-methylcyclohex-2-en-1-one
CID 10997100
(1E,6E,10E)-1-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
CID 17802138
2-(Hydroxymethylidene)cyclopent-4-ene-1,3-dione
CID 22096055
(Z)-6-(Hydroxymethylene)-4-methyl-4-vinylcyclohex-2-en-1-one
CID 57523592
(6E)-4-ethenyl-6-(hydroxymethylidene)-4-methylcyclohex-2-en-1-one
CID 67329499
6-Hydroxymethylene-4-methyl-4-vinyl-cyclohex-2-enone
CID 67329502
2-(Hydroxymethylidene)cyclohex-3-en-1-one
CID 69010402
1-(Cyclohexen-1-yl)-4-hydroxybut-3-en-1-one
CID 69091457
2-(3-Hydroxyprop-2-enyl)cyclopent-2-en-1-one
CID 69789159

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethylidene)cyclohex-2-en-1-one?
The IUPAC name of 6-(hydroxymethylidene)cyclohex-2-en-1-one (CID 130858159) is 6-(hydroxymethylidene)cyclohex-2-en-1-one.
What is the SMILES notation for 6-(hydroxymethylidene)cyclohex-2-en-1-one?
The canonical SMILES for 6-(hydroxymethylidene)cyclohex-2-en-1-one is O=C1C=CCCC1=CO.
What is the InChIKey of 6-(hydroxymethylidene)cyclohex-2-en-1-one?
The InChIKey is NHMKWWHTFJLISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h2,4-5,8H,1,3H2.
What are the key properties of 6-(hydroxymethylidene)cyclohex-2-en-1-one?
6-(hydroxymethylidene)cyclohex-2-en-1-one has a molecular weight of 124.14 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethylidene)cyclohex-2-en-1-one is sourced from PubChem (CID 130858159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).