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

C17H24NO4P — CID 135079950

IUPACdiethyl [(Z)-(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-ZCXUNETKSA-N
MW337.36 g/mol
LogP4.73
Rot. Bonds8

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

diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate (PubChem CID 135079950) has the molecular formula C17H24NO4P and a molecular weight of 337.36 g/mol. Its IUPAC name is diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate.

Molecular Properties

Compound Namediethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate
PubChem CID135079950
Molecular FormulaC17H24NO4P
Molecular Weight337.36 g/mol
Exact Mass337.14
IUPAC Namediethyl [(Z)-(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-ZCXUNETKSA-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

diethyl [(Z)-1-(3-methylphenyl)ethylideneamino] phosphate
CID 5382083
(E)-2-[2-[(E)-2-diethoxyphosphorylethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
CID 138984335
diethyl [(Z)-1-[2-(trifluoromethyl)phenyl]ethylideneamino] phosphate
CID 5382091
diethyl [(E)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate
CID 24950500
diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
CID 24950663
(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 46932960
[(E)-[1-[(1R,2S)-2-ethenylcyclohexyl]-3-phenylpropylidene]amino] diethyl phosphate
CID 56971210
diethyl [(Z)-1-naphthalen-2-ylpent-4-enylideneamino] phosphate
CID 102032189
(E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine
CID 134964844
(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 134964908
[[2-(Cyclohexen-1-yl)-1-phenylethylidene]amino] diethyl phosphate
CID 135011677
diethyl [(Z)-[(1E)-1-phenylhepta-1,6-dien-3-ylidene]amino] phosphate
CID 176423135

Frequently Asked Questions

What is the IUPAC name of diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
The IUPAC name of diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate (CID 135079950) is diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate.
What is the SMILES notation for diethyl [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
The canonical SMILES for diethyl [(Z)-(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 [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
The InChIKey is GYYLOIWESUPUGH-ZCXUNETKSA-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 [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate?
diethyl [(Z)-(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 [(Z)-(2-prop-2-enyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] phosphate is sourced from PubChem (CID 135079950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).