(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium

C14H17N2+ — CID 135039127

IUPAC(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
SMILESC1=C2/[NH+]=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/p+1/b14-7+
InChIKeyASZFEBGWNYZLIW-VGOFMYFVSA-O
MW213.30 g/mol
LogP-0.79
Rot. Bonds

About (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium

(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium (PubChem CID 135039127) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium.

Molecular Properties

Compound Name(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
PubChem CID135039127
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
SMILESC1=C2/[NH+]=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/p+1/b14-7+
InChIKeyASZFEBGWNYZLIW-VGOFMYFVSA-O
XLogP-0.79
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butyl-2,2-dimethyl-1,3-dioxidobenzimidazole-1,3-diium-5-amine
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Tetrahydroazepinoindole
CID 66694474
Dihydropyrroloisoquinoline
CID 66919674
5h-Pyrrolo[2,3-f]indole
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CID 87087142
Tetrahydropyrrolocarbazole
CID 88019937
4,5-Dihydropyrroloquinoxaline
CID 138756856
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240

Frequently Asked Questions

What is the IUPAC name of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium?
The IUPAC name of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium (CID 135039127) is (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium.
What is the SMILES notation for (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium?
The canonical SMILES for (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium is C1=C2/[NH+]=c3ccccc3=C2CCNCCC/1.
What is the InChIKey of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium?
The InChIKey is ASZFEBGWNYZLIW-VGOFMYFVSA-O. 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/p+1/b14-7+.
What are the key properties of (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium?
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium has a molecular weight of 213.30 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium is sourced from PubChem (CID 135039127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).