1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one

C19H17NO — CID 58298749

IUPAC1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one
SMILESCc1ccc(C/N=C2\C(=O)C=Cc3ccccc32)c(C)c1
InChIInChI=1S/C19H17NO/c1-13-7-8-16(14(2)11-13)12-20-19-17-6-4-3-5-15(17)9-10-18(19)21/h3-11H,12H2,1-2H3/b20-19-
InChIKeyXNNFODXHGZGROC-VXPUYCOJSA-N
MW275.35 g/mol
LogP3.89
Rot. Bonds2

About 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one

1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one (PubChem CID 58298749) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one
PubChem CID58298749
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one
SMILESCc1ccc(C/N=C2\C(=O)C=Cc3ccccc32)c(C)c1
InChIInChI=1S/C19H17NO/c1-13-7-8-16(14(2)11-13)12-20-19-17-6-4-3-5-15(17)9-10-18(19)21/h3-11H,12H2,1-2H3/b20-19-
InChIKeyXNNFODXHGZGROC-VXPUYCOJSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one?
The IUPAC name of 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one (CID 58298749) is 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one is Cc1ccc(C/N=C2\C(=O)C=Cc3ccccc32)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one?
The InChIKey is XNNFODXHGZGROC-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-7-8-16(14(2)11-13)12-20-19-17-6-4-3-5-15(17)9-10-18(19)21/h3-11H,12H2,1-2H3/b20-19-.
What are the key properties of 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one?
1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one has a molecular weight of 275.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methylimino]naphthalen-2-one is sourced from PubChem (CID 58298749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).