(1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride

C13H19ClN2O2 — CID 71450000

IUPAC(1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)N(C)CC2.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11;/h5-6,9H,4,7-8H2,1-3H3;1H
InChIKeyIWLYRUWPCBRYPY-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.55
Rot. Bonds2

About (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride

(1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride (PubChem CID 71450000) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride
PubChem CID71450000
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)N(C)CC2.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11;/h5-6,9H,4,7-8H2,1-3H3;1H
InChIKeyIWLYRUWPCBRYPY-UHFFFAOYSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride?
The IUPAC name of (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride (CID 71450000) is (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride?
The canonical SMILES for (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride is CCN(C)C(=O)Oc1ccc2c(c1)N(C)CC2.Cl.
What is the InChIKey of (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride?
The InChIKey is IWLYRUWPCBRYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11;/h5-6,9H,4,7-8H2,1-3H3;1H.
What are the key properties of (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride?
(1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-6-yl) N-ethyl-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 71450000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).