tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate

C19H21NO2 — CID 135055152

IUPACtert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-18(21)20-13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)20/h4-12,16H,13H2,1-3H3
InChIKeyQIBDPFNHEDXNQV-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.57
Rot. Bonds1

About tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate

tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate (PubChem CID 135055152) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate
PubChem CID135055152
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-18(21)20-13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)20/h4-12,16H,13H2,1-3H3
InChIKeyQIBDPFNHEDXNQV-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1-(2,3-Dihydroindol-1-yl)-4-phenylbutan-1-one
CID 807668
Spiro(cyclopentane-1,3'-indoline), 1'-acetyl-
CID 3039209
Ethyl N-phenyl-N-(phenylmethyl)carbamate
CID 222541
1-Cinnamoylindoline
CID 708145
tert-butyl N-(2-(2,3-dihydro-1H-indol-3-yl)ethyl)carbamate
CID 394091
Methyl 2,3-dihydro-1H-indole-1-carboxylate
CID 690083
tert-Butyl indoline-1-carboxylate
CID 3663954
1-(2,3-dihydro-1H-indol-1-yl)-3-phenylbutan-1-one
CID 2914368
1-[2-(2-phenylethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]propan-1-one
CID 12362471
3-Phenyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 155528829
tert-Butyl 4-(4-(isoindoline-2-carboxamido)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 57509941

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate (CID 135055152) is tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccccc2)c2ccccc21.
What is the InChIKey of tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is QIBDPFNHEDXNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)22-18(21)20-13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)20/h4-12,16H,13H2,1-3H3.
What are the key properties of tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate?
tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 135055152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).