[(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid

C16H20NO3P — CID 151936038

IUPAC[(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid
SMILESC=CN(c1c(CC)c(CC)cc2ccccc12)P(=O)(O)O
InChIInChI=1S/C16H20NO3P/c1-4-12-11-13-9-7-8-10-15(13)16(14(12)5-2)17(6-3)21(18,19)20/h6-11H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeySZUQLUSANANMGL-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.01
Rot. Bonds5

About [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid

[(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid (PubChem CID 151936038) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid.

Molecular Properties

Compound Name[(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid
PubChem CID151936038
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name[(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid
SMILESC=CN(c1c(CC)c(CC)cc2ccccc12)P(=O)(O)O
InChIInChI=1S/C16H20NO3P/c1-4-12-11-13-9-7-8-10-15(13)16(14(12)5-2)17(6-3)21(18,19)20/h6-11H,3-5H2,1-2H3,(H2,18,19,20)
InChIKeySZUQLUSANANMGL-UHFFFAOYSA-N
XLogP4.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-ethenyl-3-ethylnaphthalen-1-yl)methanol
CID 143952474
2-ethenyl-3-ethylnaphthalen-1-ol
CID 91051523
2-(2,3-diethylnaphthalen-1-yl)propanedioic acid
CID 67760170
anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
1-ethyl-2-prop-2-enylnaphthalene
CID 90721698
1,2-diethylanthracene
CID 19372429
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
anthracen-9-yl(ethoxy)phosphinic acid
CID 102403899
10-ethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 90794519
1-(2,3-diethylnaphthalen-1-yl)octadecan-1-amine
CID 21316064
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340

Frequently Asked Questions

What is the IUPAC name of [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid?
The IUPAC name of [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid (CID 151936038) is [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid.
What is the SMILES notation for [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid?
The canonical SMILES for [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid is C=CN(c1c(CC)c(CC)cc2ccccc12)P(=O)(O)O.
What is the InChIKey of [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid?
The InChIKey is SZUQLUSANANMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-4-12-11-13-9-7-8-10-15(13)16(14(12)5-2)17(6-3)21(18,19)20/h6-11H,3-5H2,1-2H3,(H2,18,19,20).
What are the key properties of [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid?
[(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid has a molecular weight of 305.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-diethylnaphthalen-1-yl)-ethenylamino]phosphonic acid is sourced from PubChem (CID 151936038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).