2-(6-cyano-1H-indol-3-yl)ethyl carbamate

C12H11N3O2 — CID 175555647

IUPAC2-(6-cyano-1H-indol-3-yl)ethyl carbamate
SMILESN#Cc1ccc2c(CCOC(N)=O)c[nH]c2c1
InChIInChI=1S/C12H11N3O2/c13-6-8-1-2-10-9(3-4-17-12(14)16)7-15-11(10)5-8/h1-2,5,7,15H,3-4H2,(H2,14,16)
InChIKeyXTZTVTKVSMQPGJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.68
Rot. Bonds3

About 2-(6-cyano-1H-indol-3-yl)ethyl carbamate

2-(6-cyano-1H-indol-3-yl)ethyl carbamate (PubChem CID 175555647) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(6-cyano-1H-indol-3-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(6-cyano-1H-indol-3-yl)ethyl carbamate
PubChem CID175555647
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(6-cyano-1H-indol-3-yl)ethyl carbamate
SMILESN#Cc1ccc2c(CCOC(N)=O)c[nH]c2c1
InChIInChI=1S/C12H11N3O2/c13-6-8-1-2-10-9(3-4-17-12(14)16)7-15-11(10)5-8/h1-2,5,7,15H,3-4H2,(H2,14,16)
InChIKeyXTZTVTKVSMQPGJ-UHFFFAOYSA-N
XLogP1.68
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloropropyl)-1H-indole-6-carbonitrile
CID 57120485
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
CID 156836179
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
CID 175327400
(E)-3-(6-cyano-1H-indol-3-yl)prop-2-enoic acid
CID 69013043
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-nitroso-1H-indole-6-carbonitrile
CID 118241553
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
CID 107916707
azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
CID 160800096
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107917681
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-1H-indol-3-yl)ethyl carbamate?
The IUPAC name of 2-(6-cyano-1H-indol-3-yl)ethyl carbamate (CID 175555647) is 2-(6-cyano-1H-indol-3-yl)ethyl carbamate.
What is the SMILES notation for 2-(6-cyano-1H-indol-3-yl)ethyl carbamate?
The canonical SMILES for 2-(6-cyano-1H-indol-3-yl)ethyl carbamate is N#Cc1ccc2c(CCOC(N)=O)c[nH]c2c1.
What is the InChIKey of 2-(6-cyano-1H-indol-3-yl)ethyl carbamate?
The InChIKey is XTZTVTKVSMQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-6-8-1-2-10-9(3-4-17-12(14)16)7-15-11(10)5-8/h1-2,5,7,15H,3-4H2,(H2,14,16).
What are the key properties of 2-(6-cyano-1H-indol-3-yl)ethyl carbamate?
2-(6-cyano-1H-indol-3-yl)ethyl carbamate has a molecular weight of 229.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-1H-indol-3-yl)ethyl carbamate is sourced from PubChem (CID 175555647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).