ethyl formate;1H-indol-5-amine

C11H14N2O2 — CID 157059520

IUPACethyl formate;1H-indol-5-amine
SMILESCCOC=O.Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H8N2.C3H6O2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-5-3-4/h1-5,10H,9H2;3H,2H2,1H3
InChIKeyABDVVAFOHPYWEO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.93
Rot. Bonds2

About ethyl formate;1H-indol-5-amine

ethyl formate;1H-indol-5-amine (PubChem CID 157059520) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl formate;1H-indol-5-amine.

Molecular Properties

Compound Nameethyl formate;1H-indol-5-amine
PubChem CID157059520
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl formate;1H-indol-5-amine
SMILESCCOC=O.Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H8N2.C3H6O2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-5-3-4/h1-5,10H,9H2;3H,2H2,1H3
InChIKeyABDVVAFOHPYWEO-UHFFFAOYSA-N
XLogP1.93
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.93
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

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
3-Indoleacrylic acid
CID 5375048

Frequently Asked Questions

What is the IUPAC name of ethyl formate;1H-indol-5-amine?
The IUPAC name of ethyl formate;1H-indol-5-amine (CID 157059520) is ethyl formate;1H-indol-5-amine.
What is the SMILES notation for ethyl formate;1H-indol-5-amine?
The canonical SMILES for ethyl formate;1H-indol-5-amine is CCOC=O.Nc1ccc2[nH]ccc2c1.
What is the InChIKey of ethyl formate;1H-indol-5-amine?
The InChIKey is ABDVVAFOHPYWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C3H6O2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-5-3-4/h1-5,10H,9H2;3H,2H2,1H3.
What are the key properties of ethyl formate;1H-indol-5-amine?
ethyl formate;1H-indol-5-amine has a molecular weight of 206.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;1H-indol-5-amine is sourced from PubChem (CID 157059520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).