diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate

C17H24NO4P — CID 24950500

IUPACdiethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate
SMILESC=CCC1CCc2ccccc2/C1=N/OP(=O)(OCC)OCC
InChIInChI=1S/C17H24NO4P/c1-4-9-15-13-12-14-10-7-8-11-16(14)17(15)18-22-23(19,20-5-2)21-6-3/h4,7-8,10-11,15H,1,5-6,9,12-13H2,2-3H3/b18-17+
InChIKeyGYYLOIWESUPUGH-ISLYRVAYSA-N
MW337.36 g/mol
LogP4.73
Rot. Bonds8

About diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate

diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate (PubChem CID 24950500) has the molecular formula C17H24NO4P and a molecular weight of 337.36 g/mol. Its IUPAC name is diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate.

Molecular Properties

Compound Namediethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate
PubChem CID24950500
Molecular FormulaC17H24NO4P
Molecular Weight337.36 g/mol
Exact Mass337.14
IUPAC Namediethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate
SMILESC=CCC1CCc2ccccc2/C1=N/OP(=O)(OCC)OCC
InChIInChI=1S/C17H24NO4P/c1-4-9-15-13-12-14-10-7-8-11-16(14)17(15)18-22-23(19,20-5-2)21-6-3/h4,7-8,10-11,15H,1,5-6,9,12-13H2,2-3H3/b18-17+
InChIKeyGYYLOIWESUPUGH-ISLYRVAYSA-N
XLogP4.73
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-diethoxyphosphoryl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 177496212
(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 125478186
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495
2-[2,2-bis(diethoxyphosphoryl)ethyl]-2,3-dihydroinden-1-one
CID 10477908
diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
CID 24950663
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906
N-(2-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 85451708
7-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 115410429
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
prop-2-enyl 2-diazo-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 85100766

Frequently Asked Questions

What is the IUPAC name of diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
The IUPAC name of diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate (CID 24950500) is diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate.
What is the SMILES notation for diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
The canonical SMILES for diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate is C=CCC1CCc2ccccc2/C1=N/OP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
The InChIKey is GYYLOIWESUPUGH-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H24NO4P/c1-4-9-15-13-12-14-10-7-8-11-16(14)17(15)18-22-23(19,20-5-2)21-6-3/h4,7-8,10-11,15H,1,5-6,9,12-13H2,2-3H3/b18-17+.
What are the key properties of diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate has a molecular weight of 337.36 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate is sourced from PubChem (CID 24950500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).