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

C17H25NO2 — CID 135055293

IUPACtert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate
SMILESCCCCC1Cc2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-5-6-10-14-12-13-9-7-8-11-15(13)18(14)16(19)20-17(2,3)4/h7-9,11,14H,5-6,10,12H2,1-4H3
InChIKeyPTAJVSBIDPXQNE-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.54
Rot. Bonds3

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

tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate (PubChem CID 135055293) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate
PubChem CID135055293
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate
SMILESCCCCC1Cc2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-5-6-10-14-12-13-9-7-8-11-15(13)18(14)16(19)20-17(2,3)4/h7-9,11,14H,5-6,10,12H2,1-4H3
InChIKeyPTAJVSBIDPXQNE-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.54
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
methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 667795
1-(2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
CID 23317889
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 4308221
N,N-diethyl-1-indolinecarboxamide
CID 2987329
N-Formylindoline
CID 576501
1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-(piperidin-1-yl)ethan-1-onato
CID 43095
Spiro(cyclopentane-1,3'-indoline), 1'-acetyl-
CID 3039209
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-(Acetoacetyl)indoline
CID 261980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate (CID 135055293) is tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate is CCCCC1Cc2ccccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is PTAJVSBIDPXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-6-10-14-12-13-9-7-8-11-15(13)18(14)16(19)20-17(2,3)4/h7-9,11,14H,5-6,10,12H2,1-4H3.
What are the key properties of tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate?
tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-butyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 135055293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).