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

C7H8O2 — CID 118894370

IUPAC(6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one
SMILESO=C1C=CCC/C1=C/O
InChIInChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h2,4-5,8H,1,3H2/b6-5-
InChIKeyNHMKWWHTFJLISO-WAYWQWQTSA-N
MW124.14 g/mol
LogP1.35
Rot. Bonds

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

(6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one (PubChem CID 118894370) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one
PubChem CID118894370
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one
SMILESO=C1C=CCC/C1=C/O
InChIInChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h2,4-5,8H,1,3H2/b6-5-
InChIKeyNHMKWWHTFJLISO-WAYWQWQTSA-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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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one?
The IUPAC name of (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one (CID 118894370) is (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one.
What is the SMILES notation for (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one?
The canonical SMILES for (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one is O=C1C=CCC/C1=C/O.
What is the InChIKey of (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one?
The InChIKey is NHMKWWHTFJLISO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h2,4-5,8H,1,3H2/b6-5-.
What are the key properties of (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one?
(6Z)-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 (6Z)-6-(hydroxymethylidene)cyclohex-2-en-1-one is sourced from PubChem (CID 118894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).