(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate

C13H22N2O2 — CID 170747083

IUPAC(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1=CCC2CCN(C)C2C1
InChIInChI=1S/C13H22N2O2/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyHEBIAKNEIXYMGV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.07
Rot. Bonds2

About (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate

(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate (PubChem CID 170747083) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate
PubChem CID170747083
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1=CCC2CCN(C)C2C1
InChIInChI=1S/C13H22N2O2/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11/h6,10,12H,4-5,7-9H2,1-3H3
InChIKeyHEBIAKNEIXYMGV-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate (CID 170747083) is (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1=CCC2CCN(C)C2C1.
What is the InChIKey of (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate?
The InChIKey is HEBIAKNEIXYMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11/h6,10,12H,4-5,7-9H2,1-3H3.
What are the key properties of (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate?
(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate has a molecular weight of 238.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 170747083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).