2-phenyliminoacenaphthylen-1-one

C18H11NO — CID 4530276

IUPAC2-phenyliminoacenaphthylen-1-one
SMILESO=C1/C(=N\c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C18H11NO/c20-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)19-13-8-2-1-3-9-13/h1-11H/b19-17-
InChIKeyOYZOQOOSEDTSFN-ZPHPHTNESA-N
MW257.29 g/mol
LogP4.16
Rot. Bonds1

About 2-phenyliminoacenaphthylen-1-one

2-phenyliminoacenaphthylen-1-one (PubChem CID 4530276) has the molecular formula C18H11NO and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-phenyliminoacenaphthylen-1-one.

Molecular Properties

Compound Name2-phenyliminoacenaphthylen-1-one
PubChem CID4530276
Molecular FormulaC18H11NO
Molecular Weight257.29 g/mol
Exact Mass257.08
IUPAC Name2-phenyliminoacenaphthylen-1-one
SMILESO=C1/C(=N\c2ccccc2)c2cccc3cccc1c23
InChIInChI=1S/C18H11NO/c20-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)19-13-8-2-1-3-9-13/h1-11H/b19-17-
InChIKeyOYZOQOOSEDTSFN-ZPHPHTNESA-N
XLogP4.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-phenyliminoacenaphthylen-1-one?
The IUPAC name of 2-phenyliminoacenaphthylen-1-one (CID 4530276) is 2-phenyliminoacenaphthylen-1-one.
What is the SMILES notation for 2-phenyliminoacenaphthylen-1-one?
The canonical SMILES for 2-phenyliminoacenaphthylen-1-one is O=C1/C(=N\c2ccccc2)c2cccc3cccc1c23.
What is the InChIKey of 2-phenyliminoacenaphthylen-1-one?
The InChIKey is OYZOQOOSEDTSFN-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H11NO/c20-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)19-13-8-2-1-3-9-13/h1-11H/b19-17-.
What are the key properties of 2-phenyliminoacenaphthylen-1-one?
2-phenyliminoacenaphthylen-1-one has a molecular weight of 257.29 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyliminoacenaphthylen-1-one is sourced from PubChem (CID 4530276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).