tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate

C14H20N2O2 — CID 117274563

IUPACtert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
SMILESCc1c(NC(=O)OC(C)(C)C)ccc2c1CCN2
InChIInChI=1S/C14H20N2O2/c1-9-10-7-8-15-12(10)6-5-11(9)16-13(17)18-14(2,3)4/h5-6,15H,7-8H2,1-4H3,(H,16,17)
InChIKeySKLILPONWIEGQG-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate

tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate (PubChem CID 117274563) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
PubChem CID117274563
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
SMILESCc1c(NC(=O)OC(C)(C)C)ccc2c1CCN2
InChIInChI=1S/C14H20N2O2/c1-9-10-7-8-15-12(10)6-5-11(9)16-13(17)18-14(2,3)4/h5-6,15H,7-8H2,1-4H3,(H,16,17)
InChIKeySKLILPONWIEGQG-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate
CID 117110659
tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
CID 46872447
tert-butyl N-(4-methoxy-2-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274565
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[5-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-8-yl]carbamate
CID 82583310
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 165144923
4-methyl-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
CID 46941751
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274564
tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
CID 117112095
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate (CID 117274563) is tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate is Cc1c(NC(=O)OC(C)(C)C)ccc2c1CCN2.
What is the InChIKey of tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The InChIKey is SKLILPONWIEGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-10-7-8-15-12(10)6-5-11(9)16-13(17)18-14(2,3)4/h5-6,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate is sourced from PubChem (CID 117274563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).