methyl N-(1H-indol-3-ylmethyl)carbamate

C11H12N2O2 — CID 11528554

IUPACmethyl N-(1H-indol-3-ylmethyl)carbamate
SMILESCOC(=O)NCc1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyVSKMGYWLFHMVGB-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.02
Rot. Bonds2

About methyl N-(1H-indol-3-ylmethyl)carbamate

methyl N-(1H-indol-3-ylmethyl)carbamate (PubChem CID 11528554) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-(1H-indol-3-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1H-indol-3-ylmethyl)carbamate
PubChem CID11528554
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl N-(1H-indol-3-ylmethyl)carbamate
SMILESCOC(=O)NCc1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyVSKMGYWLFHMVGB-UHFFFAOYSA-N
XLogP2.02
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl N-(1H-indol-3-ylmethyl)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 methyl N-(1H-indol-3-ylmethyl)carbamate?
The IUPAC name of methyl N-(1H-indol-3-ylmethyl)carbamate (CID 11528554) is methyl N-(1H-indol-3-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(1H-indol-3-ylmethyl)carbamate?
The canonical SMILES for methyl N-(1H-indol-3-ylmethyl)carbamate is COC(=O)NCc1c[nH]c2ccccc12.
What is the InChIKey of methyl N-(1H-indol-3-ylmethyl)carbamate?
The InChIKey is VSKMGYWLFHMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14).
What are the key properties of methyl N-(1H-indol-3-ylmethyl)carbamate?
methyl N-(1H-indol-3-ylmethyl)carbamate has a molecular weight of 204.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1H-indol-3-ylmethyl)carbamate is sourced from PubChem (CID 11528554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).