1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine

C8H11N — CID 123500961

IUPAC1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCC(C)=C1
InChIInChI=1S/C8H11N/c1-6-3-4-8(5-6)7(2)9/h4-5,9H,3H2,1-2H3/b9-7+
InChIKeyGCBAEJCYNBGNOH-VQHVLOKHSA-N
MW121.18 g/mol
LogP2.30
Rot. Bonds1

About 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine

1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine (PubChem CID 123500961) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine
PubChem CID123500961
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CCC(C)=C1
InChIInChI=1S/C8H11N/c1-6-3-4-8(5-6)7(2)9/h4-5,9H,3H2,1-2H3/b9-7+
InChIKeyGCBAEJCYNBGNOH-VQHVLOKHSA-N
XLogP2.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine?
The IUPAC name of 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine (CID 123500961) is 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine.
What is the SMILES notation for 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine?
The canonical SMILES for 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine is [H]/N=C(\C)C1=CCC(C)=C1.
What is the InChIKey of 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine?
The InChIKey is GCBAEJCYNBGNOH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11N/c1-6-3-4-8(5-6)7(2)9/h4-5,9H,3H2,1-2H3/b9-7+.
What are the key properties of 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine?
1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine has a molecular weight of 121.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclopenta-1,4-dien-1-yl)ethanimine is sourced from PubChem (CID 123500961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).