3-methylimino-2-phenylinden-1-one

C16H13NO — CID 91824479

IUPAC3-methylimino-2-phenylinden-1-one
SMILESC/N=C1\c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C16H13NO/c1-17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10,14H,1H3/b17-15+
InChIKeyIGVZKEITBOSJAI-BMRADRMJSA-N
MW235.29 g/mol
LogP3.09
Rot. Bonds1

About 3-methylimino-2-phenylinden-1-one

3-methylimino-2-phenylinden-1-one (PubChem CID 91824479) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-methylimino-2-phenylinden-1-one.

Molecular Properties

Compound Name3-methylimino-2-phenylinden-1-one
PubChem CID91824479
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-methylimino-2-phenylinden-1-one
SMILESC/N=C1\c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C16H13NO/c1-17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10,14H,1H3/b17-15+
InChIKeyIGVZKEITBOSJAI-BMRADRMJSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 3-methylimino-2-phenylinden-1-one?
The IUPAC name of 3-methylimino-2-phenylinden-1-one (CID 91824479) is 3-methylimino-2-phenylinden-1-one.
What is the SMILES notation for 3-methylimino-2-phenylinden-1-one?
The canonical SMILES for 3-methylimino-2-phenylinden-1-one is C/N=C1\c2ccccc2C(=O)C1c1ccccc1.
What is the InChIKey of 3-methylimino-2-phenylinden-1-one?
The InChIKey is IGVZKEITBOSJAI-BMRADRMJSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10,14H,1H3/b17-15+.
What are the key properties of 3-methylimino-2-phenylinden-1-one?
3-methylimino-2-phenylinden-1-one has a molecular weight of 235.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-2-phenylinden-1-one is sourced from PubChem (CID 91824479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).