1-cyclopenta-2,4-dien-1-ylethanimine

C7H9N — CID 57004377

IUPAC1-cyclopenta-2,4-dien-1-ylethanimine
SMILES[H]/N=C(\C)C1C=CC=C1
InChIInChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-5,7-8H,1H3/b8-6+
InChIKeyAJOAVZTWMHGXCP-SOFGYWHQSA-N
MW107.16 g/mol
LogP1.77
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylethanimine

1-cyclopenta-2,4-dien-1-ylethanimine (PubChem CID 57004377) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylethanimine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylethanimine
PubChem CID57004377
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-cyclopenta-2,4-dien-1-ylethanimine
SMILES[H]/N=C(\C)C1C=CC=C1
InChIInChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-5,7-8H,1H3/b8-6+
InChIKeyAJOAVZTWMHGXCP-SOFGYWHQSA-N
XLogP1.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.77
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

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
4-Fluoro-6-methylcyclohexa-2,4-dien-1-imine
CID 137389633
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
1-(3-Tert-butylcyclopenta-2,4-dien-1-yl)ethanimine
CID 57011604
4-Propan-2-ylcyclohexa-3,5-diene-1,2-diimine
CID 68028429
3-Methylcyclohexa-2,4-dien-1-imine
CID 68343210
(5Z)-octa-5,7-dien-2-imine
CID 88885300
1-(4-Ethylcyclohexa-2,4-dien-1-yl)ethanimine
CID 88946462
(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
CID 88953849
(4Z)-2-methylhepta-1,4,6-trien-3-imine
CID 88966253

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylethanimine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylethanimine (CID 57004377) is 1-cyclopenta-2,4-dien-1-ylethanimine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylethanimine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylethanimine is [H]/N=C(\C)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylethanimine?
The InChIKey is AJOAVZTWMHGXCP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-5,7-8H,1H3/b8-6+.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylethanimine?
1-cyclopenta-2,4-dien-1-ylethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylethanimine is sourced from PubChem (CID 57004377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).