3-ethyliminocyclohexan-1-one

C8H13NO — CID 7157400

IUPAC3-ethyliminocyclohexan-1-one
SMILESCC/N=C1\CCCC(=O)C1
InChIInChI=1S/C8H13NO/c1-2-9-7-4-3-5-8(10)6-7/h2-6H2,1H3/b9-7+
InChIKeyYUMMGWXQGKHORK-VQHVLOKHSA-N
MW139.20 g/mol
LogP1.59
Rot. Bonds1

About 3-ethyliminocyclohexan-1-one

3-ethyliminocyclohexan-1-one (PubChem CID 7157400) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-ethyliminocyclohexan-1-one.

Molecular Properties

Compound Name3-ethyliminocyclohexan-1-one
PubChem CID7157400
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-ethyliminocyclohexan-1-one
SMILESCC/N=C1\CCCC(=O)C1
InChIInChI=1S/C8H13NO/c1-2-9-7-4-3-5-8(10)6-7/h2-6H2,1H3/b9-7+
InChIKeyYUMMGWXQGKHORK-VQHVLOKHSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Acetyl-2,3,4,5-tetrahydropyridine
CID 520300
2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
4-Propyliminohexan-3-one
CID 85789809
2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
3-Methyliminocyclohexan-1-one
CID 7157389
Acetylacetone n-propylimine
CID 18322628
2-Methyliminocyclohexan-1-one
CID 18322635
4-(Cyclohexylimino)pentan-2-one
CID 20512965
5-Ethyliminohexan-2-one
CID 20666906
4-Methyliminocyclohexan-1-one
CID 21134185
4-Methyliminohexan-2-one
CID 22968350
1-(2,3,4,5-Tetrahydropyridin-6-yl)propan-2-one
CID 54276211

Frequently Asked Questions

What is the IUPAC name of 3-ethyliminocyclohexan-1-one?
The IUPAC name of 3-ethyliminocyclohexan-1-one (CID 7157400) is 3-ethyliminocyclohexan-1-one.
What is the SMILES notation for 3-ethyliminocyclohexan-1-one?
The canonical SMILES for 3-ethyliminocyclohexan-1-one is CC/N=C1\CCCC(=O)C1.
What is the InChIKey of 3-ethyliminocyclohexan-1-one?
The InChIKey is YUMMGWXQGKHORK-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-9-7-4-3-5-8(10)6-7/h2-6H2,1H3/b9-7+.
What are the key properties of 3-ethyliminocyclohexan-1-one?
3-ethyliminocyclohexan-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyliminocyclohexan-1-one is sourced from PubChem (CID 7157400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).