2-(2-cyanoindol-1-yl)ethylcarbamic acid

C12H11N3O2 — CID 135333194

IUPAC2-(2-cyanoindol-1-yl)ethylcarbamic acid
SMILESN#Cc1cc2ccccc2n1CCNC(=O)O
InChIInChI=1S/C12H11N3O2/c13-8-10-7-9-3-1-2-4-11(9)15(10)6-5-14-12(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeyMOBYTEDPSWEOMM-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-cyanoindol-1-yl)ethylcarbamic acid

2-(2-cyanoindol-1-yl)ethylcarbamic acid (PubChem CID 135333194) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(2-cyanoindol-1-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-cyanoindol-1-yl)ethylcarbamic acid
PubChem CID135333194
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(2-cyanoindol-1-yl)ethylcarbamic acid
SMILESN#Cc1cc2ccccc2n1CCNC(=O)O
InChIInChI=1S/C12H11N3O2/c13-8-10-7-9-3-1-2-4-11(9)15(10)6-5-14-12(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeyMOBYTEDPSWEOMM-UHFFFAOYSA-N
XLogP1.78
TPSA78.05 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
4-[6-[2-(2-cyanoindol-1-yl)ethylamino]pyrimidin-4-yl]-2-(2-methylpropyl)benzoic acid
CID 135333561
5-[6-[2-(2-cyanoindol-1-yl)ethylamino]pyrimidin-4-yl]-3-ethoxythiophene-2-carboxylic acid
CID 135333057
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
2-(1H-indol-3-yl)-N-[2-(2-methylindol-1-yl)ethyl]-2-oxoacetamide
CID 20879509
1-butyl-2-[(2-cyanoindol-1-yl)-phenylmethyl]indole-3-carboxylic acid
CID 18946972
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoindol-1-yl)ethylcarbamic acid?
The IUPAC name of 2-(2-cyanoindol-1-yl)ethylcarbamic acid (CID 135333194) is 2-(2-cyanoindol-1-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-cyanoindol-1-yl)ethylcarbamic acid?
The canonical SMILES for 2-(2-cyanoindol-1-yl)ethylcarbamic acid is N#Cc1cc2ccccc2n1CCNC(=O)O.
What is the InChIKey of 2-(2-cyanoindol-1-yl)ethylcarbamic acid?
The InChIKey is MOBYTEDPSWEOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-8-10-7-9-3-1-2-4-11(9)15(10)6-5-14-12(16)17/h1-4,7,14H,5-6H2,(H,16,17).
What are the key properties of 2-(2-cyanoindol-1-yl)ethylcarbamic acid?
2-(2-cyanoindol-1-yl)ethylcarbamic acid has a molecular weight of 229.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoindol-1-yl)ethylcarbamic acid is sourced from PubChem (CID 135333194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).