tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate

C14H19ClN2O2 — CID 83763376

IUPACtert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate
SMILESCc1c(Cl)ccc2c1NCC2NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-8-10(15)6-5-9-11(7-16-12(8)9)17-13(18)19-14(2,3)4/h5-6,11,16H,7H2,1-4H3,(H,17,18)
InChIKeyAUHUHXJBYPEXMV-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.64
Rot. Bonds1

About tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate

tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate (PubChem CID 83763376) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate
PubChem CID83763376
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nametert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate
SMILESCc1c(Cl)ccc2c1NCC2NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-8-10(15)6-5-9-11(7-16-12(8)9)17-13(18)19-14(2,3)4/h5-6,11,16H,7H2,1-4H3,(H,17,18)
InChIKeyAUHUHXJBYPEXMV-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate (CID 83763376) is tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate is Cc1c(Cl)ccc2c1NCC2NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate?
The InChIKey is AUHUHXJBYPEXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-8-10(15)6-5-9-11(7-16-12(8)9)17-13(18)19-14(2,3)4/h5-6,11,16H,7H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate?
tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate has a molecular weight of 282.77 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)carbamate is sourced from PubChem (CID 83763376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).