2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate

C11H16N2O2 — CID 681654

IUPAC2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1ccc2c1CCCC2
InChIInChI=1S/C11H16N2O2/c12-11(14)15-8-7-13-6-5-9-3-1-2-4-10(9)13/h5-6H,1-4,7-8H2,(H2,12,14)
InChIKeyPKNSJGZWNMEIPS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.46
Rot. Bonds3

About 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate

2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate (PubChem CID 681654) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate
PubChem CID681654
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1ccc2c1CCCC2
InChIInChI=1S/C11H16N2O2/c12-11(14)15-8-7-13-6-5-9-3-1-2-4-10(9)13/h5-6H,1-4,7-8H2,(H2,12,14)
InChIKeyPKNSJGZWNMEIPS-UHFFFAOYSA-N
XLogP1.46
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate 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-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate?
The IUPAC name of 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate (CID 681654) is 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate is NC(=O)OCCn1ccc2c1CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate?
The InChIKey is PKNSJGZWNMEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-11(14)15-8-7-13-6-5-9-3-1-2-4-10(9)13/h5-6H,1-4,7-8H2,(H2,12,14).
What are the key properties of 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate?
2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydroindol-1-yl)ethyl carbamate is sourced from PubChem (CID 681654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).