tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate

C15H22N2O3 — CID 143796003

IUPACtert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCc2ccc(O)cc21
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-7-9-17-8-6-11-4-5-12(18)10-13(11)17/h4-5,10,18H,6-9H2,1-3H3,(H,16,19)
InChIKeyLJVZPGFYKMQLML-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate

tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate (PubChem CID 143796003) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate
PubChem CID143796003
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCc2ccc(O)cc21
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-7-9-17-8-6-11-4-5-12(18)10-13(11)17/h4-5,10,18H,6-9H2,1-3H3,(H,16,19)
InChIKeyLJVZPGFYKMQLML-UHFFFAOYSA-N
XLogP2.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate (CID 143796003) is tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCc2ccc(O)cc21.
What is the InChIKey of tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate?
The InChIKey is LJVZPGFYKMQLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-7-9-17-8-6-11-4-5-12(18)10-13(11)17/h4-5,10,18H,6-9H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-hydroxy-2,3-dihydroindol-1-yl)ethyl]carbamate is sourced from PubChem (CID 143796003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).