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

C12H17ClN2O2 — CID 71449998

IUPAC2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1CCN2.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10;/h4-6,13H,3,7-8H2,1-2H3;1H
InChIKeyOXHZNBHPPOMDRM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.53
Rot. Bonds2

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

2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride (PubChem CID 71449998) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride
PubChem CID71449998
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1CCN2.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10;/h4-6,13H,3,7-8H2,1-2H3;1H
InChIKeyOXHZNBHPPOMDRM-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride (CID 71449998) is 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1CCN2.Cl.
What is the InChIKey of 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride?
The InChIKey is OXHZNBHPPOMDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10;/h4-6,13H,3,7-8H2,1-2H3;1H.
What are the key properties of 2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride?
2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 2.53, 2 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-ethyl-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 71449998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).