[6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone

C10H13NO — CID 57295183

IUPAC[6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone
SMILESCC/N=C/C1CCC=CC1=C=O
InChIInChI=1S/C10H13NO/c1-2-11-7-9-5-3-4-6-10(9)8-12/h4,6-7,9H,2-3,5H2,1H3/b11-7+
InChIKeyPQOUCABSSRCABP-YRNVUSSQSA-N
MW163.22 g/mol
LogP1.80
Rot. Bonds2

About [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone

[6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone (PubChem CID 57295183) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone.

Molecular Properties

Compound Name[6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone
PubChem CID57295183
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone
SMILESCC/N=C/C1CCC=CC1=C=O
InChIInChI=1S/C10H13NO/c1-2-11-7-9-5-3-4-6-10(9)8-12/h4,6-7,9H,2-3,5H2,1H3/b11-7+
InChIKeyPQOUCABSSRCABP-YRNVUSSQSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone?
The IUPAC name of [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone (CID 57295183) is [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone.
What is the SMILES notation for [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone?
The canonical SMILES for [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone is CC/N=C/C1CCC=CC1=C=O.
What is the InChIKey of [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone?
The InChIKey is PQOUCABSSRCABP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-11-7-9-5-3-4-6-10(9)8-12/h4,6-7,9H,2-3,5H2,1H3/b11-7+.
What are the key properties of [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone?
[6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone has a molecular weight of 163.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone is sourced from PubChem (CID 57295183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).