1,4-dihydroinden-2-imine

C9H9N — CID 57172893

IUPAC1,4-dihydroinden-2-imine
SMILES[H]/N=C1/C=C2CC=CC=C2C1
InChIInChI=1S/C9H9N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-3,6,10H,4-5H2/b10-9+
InChIKeyYFUHZFUMSLDDSD-MDZDMXLPSA-N
MW131.18 g/mol
LogP2.22
Rot. Bonds

About 1,4-dihydroinden-2-imine

1,4-dihydroinden-2-imine (PubChem CID 57172893) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 1,4-dihydroinden-2-imine.

Molecular Properties

Compound Name1,4-dihydroinden-2-imine
PubChem CID57172893
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name1,4-dihydroinden-2-imine
SMILES[H]/N=C1/C=C2CC=CC=C2C1
InChIInChI=1S/C9H9N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-3,6,10H,4-5H2/b10-9+
InChIKeyYFUHZFUMSLDDSD-MDZDMXLPSA-N
XLogP2.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.22
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

Dibenzocycloheptenimin
CID 129628903
5-Fluoro-3-methyl-6,7-dihydroinden-1-imine
CID 163805724
Diimino-cyclopentaphenalene
CID 129763347
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
3,5,6,7-Tetrahydroinden-4-imine
CID 57171416
2-Cyclopenta-1,3-dien-1-ylcyclopent-2-en-1-imine
CID 57208179
6-Methylidenecyclohex-3-en-1-imine
CID 57232803
N-methyl-1,5,6,7-tetrahydroinden-4-imine
CID 58862020

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroinden-2-imine?
The IUPAC name of 1,4-dihydroinden-2-imine (CID 57172893) is 1,4-dihydroinden-2-imine.
What is the SMILES notation for 1,4-dihydroinden-2-imine?
The canonical SMILES for 1,4-dihydroinden-2-imine is [H]/N=C1/C=C2CC=CC=C2C1.
What is the InChIKey of 1,4-dihydroinden-2-imine?
The InChIKey is YFUHZFUMSLDDSD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H9N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-3,6,10H,4-5H2/b10-9+.
What are the key properties of 1,4-dihydroinden-2-imine?
1,4-dihydroinden-2-imine has a molecular weight of 131.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroinden-2-imine is sourced from PubChem (CID 57172893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).