(4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine

C11H12N2O — CID 96748346

IUPAC(4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine
SMILESN[C@H]1CCOc2c1ccc1[nH]ccc21
InChIInChI=1S/C11H12N2O/c12-9-4-6-14-11-7(9)1-2-10-8(11)3-5-13-10/h1-3,5,9,13H,4,6,12H2/t9-/m0/s1
InChIKeyXDPUWOZSBWKZPV-VIFPVBQESA-N
MW188.23 g/mol
LogP1.95
Rot. Bonds

About (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine

(4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine (PubChem CID 96748346) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine.

Molecular Properties

Compound Name(4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine
PubChem CID96748346
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine
SMILESN[C@H]1CCOc2c1ccc1[nH]ccc21
InChIInChI=1S/C11H12N2O/c12-9-4-6-14-11-7(9)1-2-10-8(11)3-5-13-10/h1-3,5,9,13H,4,6,12H2/t9-/m0/s1
InChIKeyXDPUWOZSBWKZPV-VIFPVBQESA-N
XLogP1.95
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine?
The IUPAC name of (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine (CID 96748346) is (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine.
What is the SMILES notation for (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine?
The canonical SMILES for (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine is N[C@H]1CCOc2c1ccc1[nH]ccc21.
What is the InChIKey of (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine?
The InChIKey is XDPUWOZSBWKZPV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O/c12-9-4-6-14-11-7(9)1-2-10-8(11)3-5-13-10/h1-3,5,9,13H,4,6,12H2/t9-/m0/s1.
What are the key properties of (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine?
(4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,3,4,7-tetrahydropyrano[2,3-e]indol-4-amine is sourced from PubChem (CID 96748346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).