2,8a-dihydronaphthalene-1,8-diimine

C10H10N2 — CID 89401691

IUPAC2,8a-dihydronaphthalene-1,8-diimine
SMILES[H]/N=C1\C=CC=C2C=CC/C(=N\[H])C21
InChIInChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-5,10-12H,6H2/b11-8+,12-9+
InChIKeyPQPFVIUGJMEEQV-HZOWPXDZSA-N
MW158.20 g/mol
LogP2.10
Rot. Bonds

About 2,8a-dihydronaphthalene-1,8-diimine

2,8a-dihydronaphthalene-1,8-diimine (PubChem CID 89401691) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,8a-dihydronaphthalene-1,8-diimine.

Molecular Properties

Compound Name2,8a-dihydronaphthalene-1,8-diimine
PubChem CID89401691
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2,8a-dihydronaphthalene-1,8-diimine
SMILES[H]/N=C1\C=CC=C2C=CC/C(=N\[H])C21
InChIInChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-5,10-12H,6H2/b11-8+,12-9+
InChIKeyPQPFVIUGJMEEQV-HZOWPXDZSA-N
XLogP2.10
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8a-dihydronaphthalene-1,8-diimine?
The IUPAC name of 2,8a-dihydronaphthalene-1,8-diimine (CID 89401691) is 2,8a-dihydronaphthalene-1,8-diimine.
What is the SMILES notation for 2,8a-dihydronaphthalene-1,8-diimine?
The canonical SMILES for 2,8a-dihydronaphthalene-1,8-diimine is [H]/N=C1\C=CC=C2C=CC/C(=N\[H])C21.
What is the InChIKey of 2,8a-dihydronaphthalene-1,8-diimine?
The InChIKey is PQPFVIUGJMEEQV-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-5,10-12H,6H2/b11-8+,12-9+.
What are the key properties of 2,8a-dihydronaphthalene-1,8-diimine?
2,8a-dihydronaphthalene-1,8-diimine has a molecular weight of 158.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8a-dihydronaphthalene-1,8-diimine is sourced from PubChem (CID 89401691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).