1-(6-amino-1H-indol-3-yl)ethyl formate

C11H12N2O2 — CID 174775620

IUPAC1-(6-amino-1H-indol-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H12N2O2/c1-7(15-6-14)10-5-13-11-4-8(12)2-3-9(10)11/h2-7,13H,12H2,1H3
InChIKeyFNCCVOKXYWCEEB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.98
Rot. Bonds3

About 1-(6-amino-1H-indol-3-yl)ethyl formate

1-(6-amino-1H-indol-3-yl)ethyl formate (PubChem CID 174775620) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(6-amino-1H-indol-3-yl)ethyl formate.

Molecular Properties

Compound Name1-(6-amino-1H-indol-3-yl)ethyl formate
PubChem CID174775620
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(6-amino-1H-indol-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H12N2O2/c1-7(15-6-14)10-5-13-11-4-8(12)2-3-9(10)11/h2-7,13H,12H2,1H3
InChIKeyFNCCVOKXYWCEEB-UHFFFAOYSA-N
XLogP1.98
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-1H-indol-6-amine
CID 45117013
1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174551857
[3-(1-formyloxyethyl)-1H-indol-6-yl] benzoate
CID 174465412
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
CID 119082213
1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate
CID 174951490
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
CID 174446566
3-propan-2-yl-1H-indol-5-amine
CID 90162786
3-ethyl-1H-indol-6-amine;N-methylformamide
CID 155742399
1-[4-(hydroxymethyl)-1H-indol-3-yl]ethyl formate
CID 174951499
1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate
CID 174581695
potassium;hydride;1-[5-hydroxy-6-(1,1,4-trihydroxy-1,2,5-thiadiazolidin-2-yl)-1H-indol-3-yl]ethyl formate
CID 174579756
6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
CID 102694358

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1H-indol-3-yl)ethyl formate?
The IUPAC name of 1-(6-amino-1H-indol-3-yl)ethyl formate (CID 174775620) is 1-(6-amino-1H-indol-3-yl)ethyl formate.
What is the SMILES notation for 1-(6-amino-1H-indol-3-yl)ethyl formate?
The canonical SMILES for 1-(6-amino-1H-indol-3-yl)ethyl formate is CC(OC=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 1-(6-amino-1H-indol-3-yl)ethyl formate?
The InChIKey is FNCCVOKXYWCEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(15-6-14)10-5-13-11-4-8(12)2-3-9(10)11/h2-7,13H,12H2,1H3.
What are the key properties of 1-(6-amino-1H-indol-3-yl)ethyl formate?
1-(6-amino-1H-indol-3-yl)ethyl formate has a molecular weight of 204.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1H-indol-3-yl)ethyl formate is sourced from PubChem (CID 174775620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).