1-cyclopenta-1,3-dien-1-ylethanimine

C7H9N — CID 12554024

IUPAC1-cyclopenta-1,3-dien-1-ylethanimine
SMILES[H]/N=C(\C)C1=CC=CC1
InChIInChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-4,8H,5H2,1H3/b8-6+
InChIKeyXPDCWPCQDTUDAW-SOFGYWHQSA-N
MW107.16 g/mol
LogP1.91
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-ylethanimine

1-cyclopenta-1,3-dien-1-ylethanimine (PubChem CID 12554024) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylethanimine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylethanimine
PubChem CID12554024
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-cyclopenta-1,3-dien-1-ylethanimine
SMILES[H]/N=C(\C)C1=CC=CC1
InChIInChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-4,8H,5H2,1H3/b8-6+
InChIKeyXPDCWPCQDTUDAW-SOFGYWHQSA-N
XLogP1.91
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 ≤ 51.91
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-cyclopenta-1,3-dien-1-ylethanimine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylethanimine (CID 12554024) is 1-cyclopenta-1,3-dien-1-ylethanimine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylethanimine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylethanimine is [H]/N=C(\C)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylethanimine?
The InChIKey is XPDCWPCQDTUDAW-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9N/c1-6(8)7-4-2-3-5-7/h2-4,8H,5H2,1H3/b8-6+.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylethanimine?
1-cyclopenta-1,3-dien-1-ylethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylethanimine is sourced from PubChem (CID 12554024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).