2-chloro-4-iminonaphthalen-1-one

C10H6ClNO — CID 70250785

IUPAC2-chloro-4-iminonaphthalen-1-one
SMILES[H]/N=C1\C=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C10H6ClNO/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,12H/b12-9+
InChIKeyFDEBJBZRKJHREH-FMIVXFBMSA-N
MW191.62 g/mol
LogP2.37
Rot. Bonds

About 2-chloro-4-iminonaphthalen-1-one

2-chloro-4-iminonaphthalen-1-one (PubChem CID 70250785) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-chloro-4-iminonaphthalen-1-one.

Molecular Properties

Compound Name2-chloro-4-iminonaphthalen-1-one
PubChem CID70250785
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Name2-chloro-4-iminonaphthalen-1-one
SMILES[H]/N=C1\C=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C10H6ClNO/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,12H/b12-9+
InChIKeyFDEBJBZRKJHREH-FMIVXFBMSA-N
XLogP2.37
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iminonaphthalen-1-one?
The IUPAC name of 2-chloro-4-iminonaphthalen-1-one (CID 70250785) is 2-chloro-4-iminonaphthalen-1-one.
What is the SMILES notation for 2-chloro-4-iminonaphthalen-1-one?
The canonical SMILES for 2-chloro-4-iminonaphthalen-1-one is [H]/N=C1\C=C(Cl)C(=O)c2ccccc21.
What is the InChIKey of 2-chloro-4-iminonaphthalen-1-one?
The InChIKey is FDEBJBZRKJHREH-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H6ClNO/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,12H/b12-9+.
What are the key properties of 2-chloro-4-iminonaphthalen-1-one?
2-chloro-4-iminonaphthalen-1-one has a molecular weight of 191.62 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iminonaphthalen-1-one is sourced from PubChem (CID 70250785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).