2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine

C13H16N2O — CID 22236604

IUPAC2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine
SMILESNCCN1C=CC2C=CC3=C(CC=CO3)C21
InChIInChI=1S/C13H16N2O/c14-6-8-15-7-5-10-3-4-12-11(13(10)15)2-1-9-16-12/h1,3-5,7,9-10,13H,2,6,8,14H2
InChIKeyOMVFUWNOZXVENS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds2

About 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine

2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine (PubChem CID 22236604) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine
PubChem CID22236604
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine
SMILESNCCN1C=CC2C=CC3=C(CC=CO3)C21
InChIInChI=1S/C13H16N2O/c14-6-8-15-7-5-10-3-4-12-11(13(10)15)2-1-9-16-12/h1,3-5,7,9-10,13H,2,6,8,14H2
InChIKeyOMVFUWNOZXVENS-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine?
The IUPAC name of 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine (CID 22236604) is 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine.
What is the SMILES notation for 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine?
The canonical SMILES for 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine is NCCN1C=CC2C=CC3=C(CC=CO3)C21.
What is the InChIKey of 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine?
The InChIKey is OMVFUWNOZXVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-6-8-15-7-5-10-3-4-12-11(13(10)15)2-1-9-16-12/h1,3-5,7,9-10,13H,2,6,8,14H2.
What are the key properties of 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine?
2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine has a molecular weight of 216.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine is sourced from PubChem (CID 22236604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).