5-ethyliminohexan-2-one

C8H15NO — CID 20666906

IUPAC5-ethyliminohexan-2-one
SMILESCC/N=C(\C)CCC(C)=O
InChIInChI=1S/C8H15NO/c1-4-9-7(2)5-6-8(3)10/h4-6H2,1-3H3/b9-7+
InChIKeyUBZXWHKNSVBBSO-VQHVLOKHSA-N
MW141.21 g/mol
LogP1.84
Rot. Bonds4

About 5-ethyliminohexan-2-one

5-ethyliminohexan-2-one (PubChem CID 20666906) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-ethyliminohexan-2-one.

Molecular Properties

Compound Name5-ethyliminohexan-2-one
PubChem CID20666906
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-ethyliminohexan-2-one
SMILESCC/N=C(\C)CCC(C)=O
InChIInChI=1S/C8H15NO/c1-4-9-7(2)5-6-8(3)10/h4-6H2,1-3H3/b9-7+
InChIKeyUBZXWHKNSVBBSO-VQHVLOKHSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.84
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

2-Propionylpyrroline
CID 529251
2-Acetyl-1-pyrroline
CID 522834
6-Acetyl-2,3,4,5-tetrahydropyridine
CID 520300
2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
Acetylaceton-mono-methylimid
CID 14454679
4-Methyliminopentane-2,3-dione
CID 129655631
1-(5,5-Dideuterio-3,4-dihydropyrrol-2-yl)ethanone
CID 87340164
4-Propyliminohexan-3-one
CID 85789809
Pentadeuterio-2-acetyl-1-pyrroline
CID 146018659
1-Pyrroline, 2-butanoyl
CID 529249
3-Methyliminocyclohexan-1-one
CID 7157389
2-Methyliminopentan-3-one
CID 12892934

Frequently Asked Questions

What is the IUPAC name of 5-ethyliminohexan-2-one?
The IUPAC name of 5-ethyliminohexan-2-one (CID 20666906) is 5-ethyliminohexan-2-one.
What is the SMILES notation for 5-ethyliminohexan-2-one?
The canonical SMILES for 5-ethyliminohexan-2-one is CC/N=C(\C)CCC(C)=O.
What is the InChIKey of 5-ethyliminohexan-2-one?
The InChIKey is UBZXWHKNSVBBSO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-9-7(2)5-6-8(3)10/h4-6H2,1-3H3/b9-7+.
What are the key properties of 5-ethyliminohexan-2-one?
5-ethyliminohexan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyliminohexan-2-one is sourced from PubChem (CID 20666906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).