tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate

C14H19NO2 — CID 10657293

IUPACtert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyKFNYRMQJBZAWLH-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.29
Rot. Bonds

About tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate

tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 10657293) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID10657293
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyKFNYRMQJBZAWLH-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate 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 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
tert-butyl 5-[hydroxy(methoxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 142313343
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
tert-butyl 6-fluoro-5-formyl-2,3-dihydroindole-1-carboxylate
CID 82624854
tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
tert-butyl 5-(2,4-dioxo-1,3-diazinan-1-yl)-2,3-dihydroindole-1-carboxylate
CID 166061240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate (CID 10657293) is tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate is Cc1ccc2c(c1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is KFNYRMQJBZAWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10657293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).