(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one

C18H12N2O — CID 6509374

IUPAC(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
SMILESO=C1/C(=N/Nc2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C18H12N2O/c21-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)20-19-13-8-2-1-3-9-13/h1-11,19H/b20-17+
InChIKeyHCOFEPAPGOGFNM-LVZFUZTISA-N
MW272.31 g/mol
LogP3.85
Rot. Bonds2

About (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one

(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one (PubChem CID 6509374) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one.

Molecular Properties

Compound Name(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
PubChem CID6509374
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
SMILESO=C1/C(=N/Nc2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C18H12N2O/c21-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)20-19-13-8-2-1-3-9-13/h1-11,19H/b20-17+
InChIKeyHCOFEPAPGOGFNM-LVZFUZTISA-N
XLogP3.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one?
The IUPAC name of (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one (CID 6509374) is (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one.
What is the SMILES notation for (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one?
The canonical SMILES for (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one is O=C1/C(=N/Nc2ccccc2)c2cccc3cccc1c23.
What is the InChIKey of (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one?
The InChIKey is HCOFEPAPGOGFNM-LVZFUZTISA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)20-19-13-8-2-1-3-9-13/h1-11,19H/b20-17+.
What are the key properties of (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one?
(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one has a molecular weight of 272.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one is sourced from PubChem (CID 6509374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).