[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

C26H24NO4P — CID 23879335

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C26H24NO4P/c28-24(27-18-15-20-9-7-8-14-23(20)27)19-31-25(29)26(16-17-26)32(30,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14H,15-19H2
InChIKeyVWUWJPCUUSVIOO-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.67
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate (PubChem CID 23879335) has the molecular formula C26H24NO4P and a molecular weight of 445.46 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate
PubChem CID23879335
Molecular FormulaC26H24NO4P
Molecular Weight445.46 g/mol
Exact Mass445.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C26H24NO4P/c28-24(27-18-15-20-9-7-8-14-23(20)27)19-31-25(29)26(16-17-26)32(30,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14H,15-19H2
InChIKeyVWUWJPCUUSVIOO-UHFFFAOYSA-N
XLogP3.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2416320
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4551433
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 46696044
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523992
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 4693287
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 2371875
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2467912
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2401723
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2361409

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate (CID 23879335) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate is O=C(COC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate?
The InChIKey is VWUWJPCUUSVIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO4P/c28-24(27-18-15-20-9-7-8-14-23(20)27)19-31-25(29)26(16-17-26)32(30,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14H,15-19H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate has a molecular weight of 445.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate is sourced from PubChem (CID 23879335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).