3-imino-2-phenylinden-1-one

C15H11NO — CID 2828498

IUPAC3-imino-2-phenylinden-1-one
SMILES[H]/N=C1\c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H11NO/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13,16H/b16-14+
InChIKeySSNSXBMTVMEFKG-JQIJEIRASA-N
MW221.26 g/mol
LogP3.03
Rot. Bonds1

About 3-imino-2-phenylinden-1-one

3-imino-2-phenylinden-1-one (PubChem CID 2828498) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-imino-2-phenylinden-1-one.

Molecular Properties

Compound Name3-imino-2-phenylinden-1-one
PubChem CID2828498
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-imino-2-phenylinden-1-one
SMILES[H]/N=C1\c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H11NO/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13,16H/b16-14+
InChIKeySSNSXBMTVMEFKG-JQIJEIRASA-N
XLogP3.03
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.03
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 3-imino-2-phenylinden-1-one?
The IUPAC name of 3-imino-2-phenylinden-1-one (CID 2828498) is 3-imino-2-phenylinden-1-one.
What is the SMILES notation for 3-imino-2-phenylinden-1-one?
The canonical SMILES for 3-imino-2-phenylinden-1-one is [H]/N=C1\c2ccccc2C(=O)C1c1ccccc1.
What is the InChIKey of 3-imino-2-phenylinden-1-one?
The InChIKey is SSNSXBMTVMEFKG-JQIJEIRASA-N. The full InChI is InChI=1S/C15H11NO/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13,16H/b16-14+.
What are the key properties of 3-imino-2-phenylinden-1-one?
3-imino-2-phenylinden-1-one has a molecular weight of 221.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-phenylinden-1-one is sourced from PubChem (CID 2828498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).