5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one

C13H13NO2 — CID 91575663

IUPAC5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one
SMILES[H]/N=C1\C(=O)C=CCC1Cc1ccccc1O
InChIInChI=1S/C13H13NO2/c14-13-10(5-3-7-12(13)16)8-9-4-1-2-6-11(9)15/h1-4,6-7,10,14-15H,5,8H2/b14-13-
InChIKeySZJJSIOHTJLFQA-YPKPFQOOSA-N
MW215.25 g/mol
LogP2.10
Rot. Bonds2

About 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one

5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one (PubChem CID 91575663) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one
PubChem CID91575663
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one
SMILES[H]/N=C1\C(=O)C=CCC1Cc1ccccc1O
InChIInChI=1S/C13H13NO2/c14-13-10(5-3-7-12(13)16)8-9-4-1-2-6-11(9)15/h1-4,6-7,10,14-15H,5,8H2/b14-13-
InChIKeySZJJSIOHTJLFQA-YPKPFQOOSA-N
XLogP2.10
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one?
The IUPAC name of 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one (CID 91575663) is 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one?
The canonical SMILES for 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one is [H]/N=C1\C(=O)C=CCC1Cc1ccccc1O.
What is the InChIKey of 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one?
The InChIKey is SZJJSIOHTJLFQA-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H13NO2/c14-13-10(5-3-7-12(13)16)8-9-4-1-2-6-11(9)15/h1-4,6-7,10,14-15H,5,8H2/b14-13-.
What are the key properties of 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one?
5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methyl]-6-iminocyclohex-2-en-1-one is sourced from PubChem (CID 91575663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).