8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one

C10H12NOP — CID 166937900

IUPAC8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cccc(NP)c2C1
InChIInChI=1S/C10H12NOP/c12-8-5-4-7-2-1-3-10(11-13)9(7)6-8/h1-3,11H,4-6,13H2
InChIKeyXYMRXJMKIRSQCD-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.95
Rot. Bonds1

About 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one

8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 166937900) has the molecular formula C10H12NOP and a molecular weight of 193.19 g/mol. Its IUPAC name is 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID166937900
Molecular FormulaC10H12NOP
Molecular Weight193.19 g/mol
Exact Mass193.07
IUPAC Name8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cccc(NP)c2C1
InChIInChI=1S/C10H12NOP/c12-8-5-4-7-2-1-3-10(11-13)9(7)6-8/h1-3,11H,4-6,13H2
InChIKeyXYMRXJMKIRSQCD-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-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 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one (CID 166937900) is 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cccc(NP)c2C1.
What is the InChIKey of 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is XYMRXJMKIRSQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NOP/c12-8-5-4-7-2-1-3-10(11-13)9(7)6-8/h1-3,11H,4-6,13H2.
What are the key properties of 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one?
8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 193.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 166937900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).