5,6-dihydroindol-4-imine

C8H8N2 — CID 57269353

IUPAC5,6-dihydroindol-4-imine
SMILES[H]/N=C1\CCC=C2N=CC=C21
InChIInChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h3-5,9H,1-2H2/b9-7+
InChIKeyPVVHMXWYDSMVOT-VQHVLOKHSA-N
MW132.17 g/mol
LogP1.69
Rot. Bonds

About 5,6-dihydroindol-4-imine

5,6-dihydroindol-4-imine (PubChem CID 57269353) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 5,6-dihydroindol-4-imine.

Molecular Properties

Compound Name5,6-dihydroindol-4-imine
PubChem CID57269353
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name5,6-dihydroindol-4-imine
SMILES[H]/N=C1\CCC=C2N=CC=C21
InChIInChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h3-5,9H,1-2H2/b9-7+
InChIKeyPVVHMXWYDSMVOT-VQHVLOKHSA-N
XLogP1.69
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Azoloisoindole
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Azepinoindole
CID 88692169
Methylazepino indole
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1,2,5-Selenadiazolo[3,4-e]indole
CID 129782180
Isoindoloazepine
CID 129784649
Dihydroindolo[4,5-e]indole
CID 129873830
[1,2,5]Thiadiazolo[3,4-e]indole
CID 146680962
2-(6H-indol-3-yl)ethanimine
CID 11840987
4,6,7,7a-Tetrahydropyrrolo[2,3-f]indole
CID 57008412
5,6-dihydro-4H-indole
CID 57227928

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroindol-4-imine?
The IUPAC name of 5,6-dihydroindol-4-imine (CID 57269353) is 5,6-dihydroindol-4-imine.
What is the SMILES notation for 5,6-dihydroindol-4-imine?
The canonical SMILES for 5,6-dihydroindol-4-imine is [H]/N=C1\CCC=C2N=CC=C21.
What is the InChIKey of 5,6-dihydroindol-4-imine?
The InChIKey is PVVHMXWYDSMVOT-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h3-5,9H,1-2H2/b9-7+.
What are the key properties of 5,6-dihydroindol-4-imine?
5,6-dihydroindol-4-imine has a molecular weight of 132.17 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroindol-4-imine is sourced from PubChem (CID 57269353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).