(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole

C14H16N2 — CID 135039128

IUPAC(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole
SMILESC1=C2/N=c3ccccc3=C2CCNCCC/1
InChIInChI=1S/C14H16N2/c1-2-6-13-11(5-1)12-8-10-15-9-4-3-7-14(12)16-13/h1-2,5-7,15H,3-4,8-10H2/b14-7+
InChIKeyASZFEBGWNYZLIW-VGOFMYFVSA-N
MW212.30 g/mol
LogP1.13
Rot. Bonds

About (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole

(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole (PubChem CID 135039128) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole.

Molecular Properties

Compound Name(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole
PubChem CID135039128
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole
SMILESC1=C2/N=c3ccccc3=C2CCNCCC/1
InChIInChI=1S/C14H16N2/c1-2-6-13-11(5-1)12-8-10-15-9-4-3-7-14(12)16-13/h1-2,5-7,15H,3-4,8-10H2/b14-7+
InChIKeyASZFEBGWNYZLIW-VGOFMYFVSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole?
The IUPAC name of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole (CID 135039128) is (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole.
What is the SMILES notation for (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole?
The canonical SMILES for (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole is C1=C2/N=c3ccccc3=C2CCNCCC/1.
What is the InChIKey of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole?
The InChIKey is ASZFEBGWNYZLIW-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-6-13-11(5-1)12-8-10-15-9-4-3-7-14(12)16-13/h1-2,5-7,15H,3-4,8-10H2/b14-7+.
What are the key properties of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole?
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole has a molecular weight of 212.30 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indole is sourced from PubChem (CID 135039128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).