2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride

C11H15ClN2O2 — CID 71453643

IUPAC2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)Oc1cccc2c1CCN2.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9;/h3-5,12H,6-7H2,1-2H3;1H
InChIKeySIXHZFPXNVKJEC-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.14
Rot. Bonds1

About 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride

2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride (PubChem CID 71453643) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride
PubChem CID71453643
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)Oc1cccc2c1CCN2.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9;/h3-5,12H,6-7H2,1-2H3;1H
InChIKeySIXHZFPXNVKJEC-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride (CID 71453643) is 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride is CN(C)C(=O)Oc1cccc2c1CCN2.Cl.
What is the InChIKey of 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride?
The InChIKey is SIXHZFPXNVKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9;/h3-5,12H,6-7H2,1-2H3;1H.
What are the key properties of 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride?
2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 71453643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).