3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole

C14H18NO3P — CID 11716075

IUPAC3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole
SMILESCCOP(=O)(/C=C/c1c[nH]c2ccccc12)OCC
InChIInChI=1S/C14H18NO3P/c1-3-17-19(16,18-4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-11,15H,3-4H2,1-2H3/b10-9+
InChIKeyLYAVPZLYTSDBDX-MDZDMXLPSA-N
MW279.28 g/mol
LogP4.40
Rot. Bonds6

About 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole

3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole (PubChem CID 11716075) has the molecular formula C14H18NO3P and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole
PubChem CID11716075
Molecular FormulaC14H18NO3P
Molecular Weight279.28 g/mol
Exact Mass279.10
IUPAC Name3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole
SMILESCCOP(=O)(/C=C/c1c[nH]c2ccccc12)OCC
InChIInChI=1S/C14H18NO3P/c1-3-17-19(16,18-4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-11,15H,3-4H2,1-2H3/b10-9+
InChIKeyLYAVPZLYTSDBDX-MDZDMXLPSA-N
XLogP4.40
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 6477471
2-(1H-indol-3-yl)ethenyl-methylidyneazanium
CID 162800591
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
ethyl 2-acetyloxy-3-(1H-indol-3-yl)prop-2-enoate
CID 54348317
ethyl formate;3-methyl-1H-indole
CID 174567776
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole?
The IUPAC name of 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole (CID 11716075) is 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole.
What is the SMILES notation for 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole?
The canonical SMILES for 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole is CCOP(=O)(/C=C/c1c[nH]c2ccccc12)OCC.
What is the InChIKey of 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole?
The InChIKey is LYAVPZLYTSDBDX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18NO3P/c1-3-17-19(16,18-4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-11,15H,3-4H2,1-2H3/b10-9+.
What are the key properties of 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole?
3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole has a molecular weight of 279.28 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-diethoxyphosphorylethenyl]-1H-indole is sourced from PubChem (CID 11716075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).