4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one

C12H20N2O2 — CID 154096286

IUPAC4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=O)CC(C)=NC(C)N=C(C)CC(C)=O
InChIInChI=1S/C12H20N2O2/c1-8(6-10(3)15)13-12(5)14-9(2)7-11(4)16/h12H,6-7H2,1-5H3
InChIKeyWCKMDEHRHUNVEQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.21
Rot. Bonds6

About 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one

4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one (PubChem CID 154096286) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.

Molecular Properties

Compound Name4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
PubChem CID154096286
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SMILESCC(=O)CC(C)=NC(C)N=C(C)CC(C)=O
InChIInChI=1S/C12H20N2O2/c1-8(6-10(3)15)13-12(5)14-9(2)7-11(4)16/h12H,6-7H2,1-5H3
InChIKeyWCKMDEHRHUNVEQ-UHFFFAOYSA-N
XLogP2.21
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-Oxopentan-2-ylideneamino)ethylimino]pentan-2-one
CID 138721
4-[2-(4-Oxopentan-2-ylideneamino)propylimino]pentan-2-one
CID 294413
4-Methyliminopentane-2,3-dione
CID 129655631
3-Methyl-4-[2-[(3-methyl-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 333937
4-Propyliminohexan-3-one
CID 85789809
4,6,9-Trimethyl-5,8-diaza-4,8-dodecadiene-2,3,10,11-tetraone
CID 129731668
4-[4-(4-Oxopentan-2-ylideneamino)butylimino]pentan-2-one
CID 227168
1,4,10,13-Tetraazacyclooctadeca-4,9,13,18-tetraene-7,16-dione, 5,9,14,18-tetramethyl-
CID 630374
4-((2-(Dimethylamino)ethyl)imino)-2-pentanone
CID 13677035
4-Ethyliminopentan-2-one
CID 18322611
Acetylacetone n-propylimine
CID 18322628
4-[(1-Methylethyl)imino]-2-pentanone
CID 20512964

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The IUPAC name of 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one (CID 154096286) is 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one.
What is the SMILES notation for 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The canonical SMILES for 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one is CC(=O)CC(C)=NC(C)N=C(C)CC(C)=O.
What is the InChIKey of 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
The InChIKey is WCKMDEHRHUNVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(6-10(3)15)13-12(5)14-9(2)7-11(4)16/h12H,6-7H2,1-5H3.
What are the key properties of 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one?
4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one has a molecular weight of 224.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one is sourced from PubChem (CID 154096286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).