6,6a-dihydropentalene-1,5-diimine

C8H8N2 — CID 57218159

IUPAC6,6a-dihydropentalene-1,5-diimine
SMILES[H]/N=C1\C=C2C=C/C(=N\[H])C2C1
InChIInChI=1S/C8H8N2/c9-6-3-5-1-2-8(10)7(5)4-6/h1-3,7,9-10H,4H2/b9-6+,10-8+
InChIKeyJAEITPRJOJOQQO-OAMUUVBCSA-N
MW132.17 g/mol
LogP1.54
Rot. Bonds

About 6,6a-dihydropentalene-1,5-diimine

6,6a-dihydropentalene-1,5-diimine (PubChem CID 57218159) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 6,6a-dihydropentalene-1,5-diimine.

Molecular Properties

Compound Name6,6a-dihydropentalene-1,5-diimine
PubChem CID57218159
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name6,6a-dihydropentalene-1,5-diimine
SMILES[H]/N=C1\C=C2C=C/C(=N\[H])C2C1
InChIInChI=1S/C8H8N2/c9-6-3-5-1-2-8(10)7(5)4-6/h1-3,7,9-10H,4H2/b9-6+,10-8+
InChIKeyJAEITPRJOJOQQO-OAMUUVBCSA-N
XLogP1.54
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2,8a-Dihydronaphthalene-1,8-diimine
CID 89401691
6aH-pentalen-1-imine
CID 90694057
8-Diazo-1,4a-dihydro-s-indacen-4-imine
CID 91541240
1-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 123262271
3-Methyl-5-methylideneoct-6-en-4-imine
CID 123300580
(5Z)-2,9,10,10a-tetrahydro-1H-benzo[8]annulen-3-imine
CID 123336517
1-(5,6-Dimethylcyclohexa-1,3-dien-1-yl)ethanimine
CID 123574389
4a,5-dihydro-4H-naphthalen-1-imine
CID 123637098
2H-pentalen-1-imine
CID 139948148
6-[(6-Iminocyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-imine
CID 141049799
6-Methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine
CID 141054133

Frequently Asked Questions

What is the IUPAC name of 6,6a-dihydropentalene-1,5-diimine?
The IUPAC name of 6,6a-dihydropentalene-1,5-diimine (CID 57218159) is 6,6a-dihydropentalene-1,5-diimine.
What is the SMILES notation for 6,6a-dihydropentalene-1,5-diimine?
The canonical SMILES for 6,6a-dihydropentalene-1,5-diimine is [H]/N=C1\C=C2C=C/C(=N\[H])C2C1.
What is the InChIKey of 6,6a-dihydropentalene-1,5-diimine?
The InChIKey is JAEITPRJOJOQQO-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H8N2/c9-6-3-5-1-2-8(10)7(5)4-6/h1-3,7,9-10H,4H2/b9-6+,10-8+.
What are the key properties of 6,6a-dihydropentalene-1,5-diimine?
6,6a-dihydropentalene-1,5-diimine has a molecular weight of 132.17 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydropentalene-1,5-diimine is sourced from PubChem (CID 57218159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).