1-iminonaphthalen-2-one

C10H7NO — CID 57227375

IUPAC1-iminonaphthalen-2-one
SMILES[H]/N=C1\C(=O)C=Cc2ccccc21
InChIInChI=1S/C10H7NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,11H/b11-10-
InChIKeyDSBQCSVRNSAEEK-KHPPLWFESA-N
MW157.17 g/mol
LogP1.65
Rot. Bonds

About 1-iminonaphthalen-2-one

1-iminonaphthalen-2-one (PubChem CID 57227375) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-iminonaphthalen-2-one.

Molecular Properties

Compound Name1-iminonaphthalen-2-one
PubChem CID57227375
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name1-iminonaphthalen-2-one
SMILES[H]/N=C1\C(=O)C=Cc2ccccc21
InChIInChI=1S/C10H7NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,11H/b11-10-
InChIKeyDSBQCSVRNSAEEK-KHPPLWFESA-N
XLogP1.65
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
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'}

Analyze 1-iminonaphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-iminonaphthalen-2-one?
The IUPAC name of 1-iminonaphthalen-2-one (CID 57227375) is 1-iminonaphthalen-2-one.
What is the SMILES notation for 1-iminonaphthalen-2-one?
The canonical SMILES for 1-iminonaphthalen-2-one is [H]/N=C1\C(=O)C=Cc2ccccc21.
What is the InChIKey of 1-iminonaphthalen-2-one?
The InChIKey is DSBQCSVRNSAEEK-KHPPLWFESA-N. The full InChI is InChI=1S/C10H7NO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,11H/b11-10-.
What are the key properties of 1-iminonaphthalen-2-one?
1-iminonaphthalen-2-one has a molecular weight of 157.17 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminonaphthalen-2-one is sourced from PubChem (CID 57227375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).