tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate

C14H20N2O2 — CID 117274564

IUPACtert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)cc2c1NCC2
InChIInChI=1S/C14H20N2O2/c1-9-7-11(8-10-5-6-15-12(9)10)16-13(17)18-14(2,3)4/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyQSLXHLWWTQCCQU-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate

tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate (PubChem CID 117274564) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
PubChem CID117274564
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)cc2c1NCC2
InChIInChI=1S/C14H20N2O2/c1-9-7-11(8-10-5-6-15-12(9)10)16-13(17)18-14(2,3)4/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyQSLXHLWWTQCCQU-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

Analyze tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-(2,2-dimethylundecanoylamino)-2,3-dihydro-1H-indol-7-yl]carbamate
CID 174520925
tert-butyl N-[5-(2,2-dimethylundecanoylamino)-2,3-dihydro-1H-indol-7-yl]carbamate;methanamine
CID 174520924
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate
CID 117110659
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-[3-(2,5-dioxopyrrolidin-1-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 142691439
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
CID 83825841
tert-butyl N-(3-ethenyl-4-fluoro-5-methylphenyl)carbamate
CID 178053772

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate (CID 117274564) is tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate is Cc1cc(NC(=O)OC(C)(C)C)cc2c1NCC2.
What is the InChIKey of tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
The InChIKey is QSLXHLWWTQCCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-11(8-10-5-6-15-12(9)10)16-13(17)18-14(2,3)4/h7-8,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate?
tert-butyl N-(7-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-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate is sourced from PubChem (CID 117274564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).