3,5,6,7-tetrahydroinden-4-imine

C9H11N — CID 57171416

IUPAC3,5,6,7-tetrahydroinden-4-imine
SMILES[H]/N=C1\CCCC2=C1CC=C2
InChIInChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h1,3,10H,2,4-6H2/b10-9+
InChIKeyHJQVNQLHUBRSFL-MDZDMXLPSA-N
MW133.19 g/mol
LogP2.45
Rot. Bonds

About 3,5,6,7-tetrahydroinden-4-imine

3,5,6,7-tetrahydroinden-4-imine (PubChem CID 57171416) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3,5,6,7-tetrahydroinden-4-imine.

Molecular Properties

Compound Name3,5,6,7-tetrahydroinden-4-imine
PubChem CID57171416
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3,5,6,7-tetrahydroinden-4-imine
SMILES[H]/N=C1\CCCC2=C1CC=C2
InChIInChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h1,3,10H,2,4-6H2/b10-9+
InChIKeyHJQVNQLHUBRSFL-MDZDMXLPSA-N
XLogP2.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-Fluorene, 2,5-diazido-
CID 153371
5-Fluoro-3-methyl-6,7-dihydroinden-1-imine
CID 163805724
Diimino-cyclopentaphenalene
CID 129763347
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
1,4-Dihydroinden-2-imine
CID 57172893
2-Cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-imine
CID 57208179
N-methyl-1,5,6,7-tetrahydroinden-4-imine
CID 58862020
5-[2-(4-Iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine
CID 67436441
4-Methylidenecyclohex-2-en-1-imine
CID 68245603
2-Ethylcyclohexa-2,4-dien-1-imine
CID 68768771
2-Hexylcyclohexa-2,5-diene-1,4-diimine
CID 70145261
3-(5-Iminocyclohexa-1,3-dien-1-yl)cyclohexa-2,5-dien-1-imine
CID 70153753

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydroinden-4-imine?
The IUPAC name of 3,5,6,7-tetrahydroinden-4-imine (CID 57171416) is 3,5,6,7-tetrahydroinden-4-imine.
What is the SMILES notation for 3,5,6,7-tetrahydroinden-4-imine?
The canonical SMILES for 3,5,6,7-tetrahydroinden-4-imine is [H]/N=C1\CCCC2=C1CC=C2.
What is the InChIKey of 3,5,6,7-tetrahydroinden-4-imine?
The InChIKey is HJQVNQLHUBRSFL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h1,3,10H,2,4-6H2/b10-9+.
What are the key properties of 3,5,6,7-tetrahydroinden-4-imine?
3,5,6,7-tetrahydroinden-4-imine has a molecular weight of 133.19 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydroinden-4-imine is sourced from PubChem (CID 57171416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).