3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole

C24H24NOP — CID 11090057

IUPAC3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole
SMILESC=CCN1CC(CP(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24NOP/c1-2-17-25-18-20(23-15-9-10-16-24(23)25)19-27(26,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-16,20H,1,17-19H2
InChIKeyUSZJAUYINREPHX-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.79
Rot. Bonds6

About 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole

3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole (PubChem CID 11090057) has the molecular formula C24H24NOP and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole
PubChem CID11090057
Molecular FormulaC24H24NOP
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC Name3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole
SMILESC=CCN1CC(CP(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24NOP/c1-2-17-25-18-20(23-15-9-10-16-24(23)25)19-27(26,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-16,20H,1,17-19H2
InChIKeyUSZJAUYINREPHX-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole?
The IUPAC name of 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole (CID 11090057) is 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole.
What is the SMILES notation for 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole?
The canonical SMILES for 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole is C=CCN1CC(CP(=O)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole?
The InChIKey is USZJAUYINREPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NOP/c1-2-17-25-18-20(23-15-9-10-16-24(23)25)19-27(26,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-16,20H,1,17-19H2.
What are the key properties of 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole?
3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole has a molecular weight of 373.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diphenylphosphorylmethyl)-1-prop-2-enyl-2,3-dihydroindole is sourced from PubChem (CID 11090057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).