methyl N-[2-(1H-indol-3-yl)ethyl]carbamate

C12H14N2O2 — CID 846386

IUPACmethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyHCBAFFNXFPNJMN-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.07
Rot. Bonds3

About methyl N-[2-(1H-indol-3-yl)ethyl]carbamate

methyl N-[2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 846386) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl N-[2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID846386
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyHCBAFFNXFPNJMN-UHFFFAOYSA-N
XLogP2.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Zolmitriptan
CID 60857
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1H-indol-3-yl)ethyl]carbamate (CID 846386) is methyl N-[2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1H-indol-3-yl)ethyl]carbamate is COC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is HCBAFFNXFPNJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of methyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
methyl N-[2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 218.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 846386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).