2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine

C13H14N2O — CID 87939535

IUPAC2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine
SMILESNCCN1CC=c2c1ccc1c2=CC=CO1
InChIInChI=1S/C13H14N2O/c14-6-8-15-7-5-10-11-2-1-9-16-13(11)4-3-12(10)15/h1-5,9H,6-8,14H2
InChIKeyYGHKLNHHNDOOKB-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.07
Rot. Bonds2

About 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine

2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine (PubChem CID 87939535) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine
PubChem CID87939535
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine
SMILESNCCN1CC=c2c1ccc1c2=CC=CO1
InChIInChI=1S/C13H14N2O/c14-6-8-15-7-5-10-11-2-1-9-16-13(11)4-3-12(10)15/h1-5,9H,6-8,14H2
InChIKeyYGHKLNHHNDOOKB-UHFFFAOYSA-N
XLogP-0.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine?
The IUPAC name of 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine (CID 87939535) is 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine.
What is the SMILES notation for 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine?
The canonical SMILES for 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine is NCCN1CC=c2c1ccc1c2=CC=CO1.
What is the InChIKey of 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine?
The InChIKey is YGHKLNHHNDOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-6-8-15-7-5-10-11-2-1-9-16-13(11)4-3-12(10)15/h1-5,9H,6-8,14H2.
What are the key properties of 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine?
2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine has a molecular weight of 214.27 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrano[3,2-e]indol-3-yl)ethanamine is sourced from PubChem (CID 87939535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).