tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate

C15H21NO3 — CID 170628712

IUPACtert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate
SMILESCOCC1CN(C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-11(10-18-4)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3
InChIKeyPTSGOSGGMZEVBV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate

tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate (PubChem CID 170628712) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate
PubChem CID170628712
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate
SMILESCOCC1CN(C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-11(10-18-4)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3
InChIKeyPTSGOSGGMZEVBV-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate (CID 170628712) is tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate is COCC1CN(C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is PTSGOSGGMZEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-11(10-18-4)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxymethyl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 170628712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).