tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate

C14H20N2O2 — CID 131227813

IUPACtert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7,11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyCTZPFXWUUFATNJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate

tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate (PubChem CID 131227813) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
PubChem CID131227813
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7,11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyCTZPFXWUUFATNJ-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
CID 19958483
methyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamodithioate
CID 89003399
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
CID 95241558
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720
tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CID 54593034
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 57049298
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate (CID 131227813) is tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1Cc2ccccc2N1.
What is the InChIKey of tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate?
The InChIKey is CTZPFXWUUFATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)15-9-11-8-10-6-4-5-7-12(10)16-11/h4-7,11,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate?
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate is sourced from PubChem (CID 131227813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).