2-(4-chlorophenyl)iminoacenaphthylen-1-one

C18H10ClNO — CID 122209655

IUPAC2-(4-chlorophenyl)iminoacenaphthylen-1-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)c2cccc3cccc1c23
InChIInChI=1S/C18H10ClNO/c19-12-7-9-13(10-8-12)20-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)21/h1-10H/b20-17-
InChIKeyOQMQVUUJHGOIEP-JZJYNLBNSA-N
MW291.74 g/mol
LogP4.81
Rot. Bonds1

About 2-(4-chlorophenyl)iminoacenaphthylen-1-one

2-(4-chlorophenyl)iminoacenaphthylen-1-one (PubChem CID 122209655) has the molecular formula C18H10ClNO and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)iminoacenaphthylen-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)iminoacenaphthylen-1-one
PubChem CID122209655
Molecular FormulaC18H10ClNO
Molecular Weight291.74 g/mol
Exact Mass291.05
IUPAC Name2-(4-chlorophenyl)iminoacenaphthylen-1-one
SMILESO=C1/C(=N\c2ccc(Cl)cc2)c2cccc3cccc1c23
InChIInChI=1S/C18H10ClNO/c19-12-7-9-13(10-8-12)20-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)21/h1-10H/b20-17-
InChIKeyOQMQVUUJHGOIEP-JZJYNLBNSA-N
XLogP4.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.81
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-(4-chlorophenyl)iminoacenaphthylen-1-one?
The IUPAC name of 2-(4-chlorophenyl)iminoacenaphthylen-1-one (CID 122209655) is 2-(4-chlorophenyl)iminoacenaphthylen-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)iminoacenaphthylen-1-one?
The canonical SMILES for 2-(4-chlorophenyl)iminoacenaphthylen-1-one is O=C1/C(=N\c2ccc(Cl)cc2)c2cccc3cccc1c23.
What is the InChIKey of 2-(4-chlorophenyl)iminoacenaphthylen-1-one?
The InChIKey is OQMQVUUJHGOIEP-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H10ClNO/c19-12-7-9-13(10-8-12)20-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)21/h1-10H/b20-17-.
What are the key properties of 2-(4-chlorophenyl)iminoacenaphthylen-1-one?
2-(4-chlorophenyl)iminoacenaphthylen-1-one has a molecular weight of 291.74 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)iminoacenaphthylen-1-one is sourced from PubChem (CID 122209655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).