7-amino-8-chloro-2H-acenaphthylen-1-one

C12H8ClNO — CID 172779403

IUPAC7-amino-8-chloro-2H-acenaphthylen-1-one
SMILESNc1cc2cccc3c2c(c1Cl)C(=O)C3
InChIInChI=1S/C12H8ClNO/c13-12-8(14)4-6-2-1-3-7-5-9(15)11(12)10(6)7/h1-4H,5,14H2
InChIKeyOAYZWZVFAHNZPK-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.81
Rot. Bonds

About 7-amino-8-chloro-2H-acenaphthylen-1-one

7-amino-8-chloro-2H-acenaphthylen-1-one (PubChem CID 172779403) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 7-amino-8-chloro-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name7-amino-8-chloro-2H-acenaphthylen-1-one
PubChem CID172779403
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name7-amino-8-chloro-2H-acenaphthylen-1-one
SMILESNc1cc2cccc3c2c(c1Cl)C(=O)C3
InChIInChI=1S/C12H8ClNO/c13-12-8(14)4-6-2-1-3-7-5-9(15)11(12)10(6)7/h1-4H,5,14H2
InChIKeyOAYZWZVFAHNZPK-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-chloro-2H-acenaphthylen-1-one?
The IUPAC name of 7-amino-8-chloro-2H-acenaphthylen-1-one (CID 172779403) is 7-amino-8-chloro-2H-acenaphthylen-1-one.
What is the SMILES notation for 7-amino-8-chloro-2H-acenaphthylen-1-one?
The canonical SMILES for 7-amino-8-chloro-2H-acenaphthylen-1-one is Nc1cc2cccc3c2c(c1Cl)C(=O)C3.
What is the InChIKey of 7-amino-8-chloro-2H-acenaphthylen-1-one?
The InChIKey is OAYZWZVFAHNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-12-8(14)4-6-2-1-3-7-5-9(15)11(12)10(6)7/h1-4H,5,14H2.
What are the key properties of 7-amino-8-chloro-2H-acenaphthylen-1-one?
7-amino-8-chloro-2H-acenaphthylen-1-one has a molecular weight of 217.66 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-chloro-2H-acenaphthylen-1-one is sourced from PubChem (CID 172779403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).