6-hydroxy-2-methylidenecyclohex-3-en-1-one

C7H8O2 — CID 56995466

IUPAC6-hydroxy-2-methylidenecyclohex-3-en-1-one
SMILESC=C1C=CCC(O)C1=O
InChIInChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-3,6,8H,1,4H2
InChIKeyRWDHVCFXAWOPFR-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.43
Rot. Bonds

About 6-hydroxy-2-methylidenecyclohex-3-en-1-one

6-hydroxy-2-methylidenecyclohex-3-en-1-one (PubChem CID 56995466) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-hydroxy-2-methylidenecyclohex-3-en-1-one.

Molecular Properties

Compound Name6-hydroxy-2-methylidenecyclohex-3-en-1-one
PubChem CID56995466
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name6-hydroxy-2-methylidenecyclohex-3-en-1-one
SMILESC=C1C=CCC(O)C1=O
InChIInChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-3,6,8H,1,4H2
InChIKeyRWDHVCFXAWOPFR-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylidenecyclohex-3-en-1-one?
The IUPAC name of 6-hydroxy-2-methylidenecyclohex-3-en-1-one (CID 56995466) is 6-hydroxy-2-methylidenecyclohex-3-en-1-one.
What is the SMILES notation for 6-hydroxy-2-methylidenecyclohex-3-en-1-one?
The canonical SMILES for 6-hydroxy-2-methylidenecyclohex-3-en-1-one is C=C1C=CCC(O)C1=O.
What is the InChIKey of 6-hydroxy-2-methylidenecyclohex-3-en-1-one?
The InChIKey is RWDHVCFXAWOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-3,6,8H,1,4H2.
What are the key properties of 6-hydroxy-2-methylidenecyclohex-3-en-1-one?
6-hydroxy-2-methylidenecyclohex-3-en-1-one has a molecular weight of 124.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylidenecyclohex-3-en-1-one is sourced from PubChem (CID 56995466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).