5-naphthalen-2-yliminocyclohex-3-en-1-ol

C16H15NO — CID 123650955

IUPAC5-naphthalen-2-yliminocyclohex-3-en-1-ol
SMILESOC1CC=C/C(=N/c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H15NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h1-6,8-10,16,18H,7,11H2/b17-14-
InChIKeyVUOWUSPZCVKYOL-VKAVYKQESA-N
MW237.30 g/mol
LogP3.62
Rot. Bonds1

About 5-naphthalen-2-yliminocyclohex-3-en-1-ol

5-naphthalen-2-yliminocyclohex-3-en-1-ol (PubChem CID 123650955) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-naphthalen-2-yliminocyclohex-3-en-1-ol.

Molecular Properties

Compound Name5-naphthalen-2-yliminocyclohex-3-en-1-ol
PubChem CID123650955
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-naphthalen-2-yliminocyclohex-3-en-1-ol
SMILESOC1CC=C/C(=N/c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H15NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h1-6,8-10,16,18H,7,11H2/b17-14-
InChIKeyVUOWUSPZCVKYOL-VKAVYKQESA-N
XLogP3.62
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yliminocyclohex-3-en-1-ol?
The IUPAC name of 5-naphthalen-2-yliminocyclohex-3-en-1-ol (CID 123650955) is 5-naphthalen-2-yliminocyclohex-3-en-1-ol.
What is the SMILES notation for 5-naphthalen-2-yliminocyclohex-3-en-1-ol?
The canonical SMILES for 5-naphthalen-2-yliminocyclohex-3-en-1-ol is OC1CC=C/C(=N/c2ccc3ccccc3c2)C1.
What is the InChIKey of 5-naphthalen-2-yliminocyclohex-3-en-1-ol?
The InChIKey is VUOWUSPZCVKYOL-VKAVYKQESA-N. The full InChI is InChI=1S/C16H15NO/c18-16-7-3-6-14(11-16)17-15-9-8-12-4-1-2-5-13(12)10-15/h1-6,8-10,16,18H,7,11H2/b17-14-.
What are the key properties of 5-naphthalen-2-yliminocyclohex-3-en-1-ol?
5-naphthalen-2-yliminocyclohex-3-en-1-ol has a molecular weight of 237.30 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yliminocyclohex-3-en-1-ol is sourced from PubChem (CID 123650955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).