4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one

C14H24N2O2 — CID 18322592

IUPAC4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one
SMILESCC(C)C(=O)C/C=N/CC/N=C/CC(=O)C(C)C
InChIInChI=1S/C14H24N2O2/c1-11(2)13(17)5-7-15-9-10-16-8-6-14(18)12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b15-7+,16-8+
InChIKeyZYPVOJIDNGOHOA-BGPOSVGRSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds9

About 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one

4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one (PubChem CID 18322592) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one
PubChem CID18322592
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one
SMILESCC(C)C(=O)C/C=N/CC/N=C/CC(=O)C(C)C
InChIInChI=1S/C14H24N2O2/c1-11(2)13(17)5-7-15-9-10-16-8-6-14(18)12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b15-7+,16-8+
InChIKeyZYPVOJIDNGOHOA-BGPOSVGRSA-N
XLogP2.36
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one?
The IUPAC name of 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one (CID 18322592) is 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one?
The canonical SMILES for 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one is CC(C)C(=O)C/C=N/CC/N=C/CC(=O)C(C)C.
What is the InChIKey of 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one?
The InChIKey is ZYPVOJIDNGOHOA-BGPOSVGRSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)13(17)5-7-15-9-10-16-8-6-14(18)12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3/b15-7+,16-8+.
What are the key properties of 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one?
4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one has a molecular weight of 252.36 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one is sourced from PubChem (CID 18322592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).