phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate

C24H21NO5 — CID 145023809

IUPACphenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate
SMILESCC[C@H]1C(=O)N(C(=O)Oc2ccccc2)c2ccccc21.O=COc1ccccc1
InChIInChI=1S/C17H15NO3.C7H6O2/c1-2-13-14-10-6-7-11-15(14)18(16(13)19)17(20)21-12-8-4-3-5-9-12;8-6-9-7-4-2-1-3-5-7/h3-11,13H,2H2,1H3;1-6H/t13-;/m1./s1
InChIKeyRNKPVMAPUOYCPF-BTQNPOSSSA-N
MW403.43 g/mol
LogP4.95
Rot. Bonds4

About phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate

phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate (PubChem CID 145023809) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate.

Molecular Properties

Compound Namephenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate
PubChem CID145023809
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Namephenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate
SMILESCC[C@H]1C(=O)N(C(=O)Oc2ccccc2)c2ccccc21.O=COc1ccccc1
InChIInChI=1S/C17H15NO3.C7H6O2/c1-2-13-14-10-6-7-11-15(14)18(16(13)19)17(20)21-12-8-4-3-5-9-12;8-6-9-7-4-2-1-3-5-7/h3-11,13H,2H2,1H3;1-6H/t13-;/m1./s1
InChIKeyRNKPVMAPUOYCPF-BTQNPOSSSA-N
XLogP4.95
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl (3R)-2-oxo-3-thiophen-2-yl-3H-indole-1-carboxylate
CID 145023813
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
λ2-plumbane;phenyl formate
CID 174910364
3-ethyl-1-prop-2-enyl-3H-indol-2-one
CID 15047278
phenyl 4-formyloxybenzoate
CID 118686744
phenyl benzo[b][1]benzazepine-11-carboxylate
CID 110168207
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
phenyl 2-oxo-3H-indole-1-carboxylate
CID 15469893
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
3-methyl-1-propanoyl-3H-indol-2-one
CID 145119446
tert-butyl 3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-3H-indole-1-carboxylate
CID 66572363

Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate?
The IUPAC name of phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate (CID 145023809) is phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate.
What is the SMILES notation for phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate?
The canonical SMILES for phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate is CC[C@H]1C(=O)N(C(=O)Oc2ccccc2)c2ccccc21.O=COc1ccccc1.
What is the InChIKey of phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate?
The InChIKey is RNKPVMAPUOYCPF-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H15NO3.C7H6O2/c1-2-13-14-10-6-7-11-15(14)18(16(13)19)17(20)21-12-8-4-3-5-9-12;8-6-9-7-4-2-1-3-5-7/h3-11,13H,2H2,1H3;1-6H/t13-;/m1./s1.
What are the key properties of phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate?
phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate has a molecular weight of 403.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-3-ethyl-2-oxo-3H-indole-1-carboxylate;phenyl formate is sourced from PubChem (CID 145023809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).