(1E)-1-(dimethylhydrazinylidene)heptan-3-one

C9H18N2O — CID 14786269

IUPAC(1E)-1-(dimethylhydrazinylidene)heptan-3-one
SMILESCCCCC(=O)C/C=N/N(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(12)7-8-10-11(2)3/h8H,4-7H2,1-3H3/b10-8+
InChIKeyZSGXRWJXZISYCC-CSKARUKUSA-N
MW170.26 g/mol
LogP1.68
Rot. Bonds6

About (1E)-1-(dimethylhydrazinylidene)heptan-3-one

(1E)-1-(dimethylhydrazinylidene)heptan-3-one (PubChem CID 14786269) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1E)-1-(dimethylhydrazinylidene)heptan-3-one.

Molecular Properties

Compound Name(1E)-1-(dimethylhydrazinylidene)heptan-3-one
PubChem CID14786269
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1E)-1-(dimethylhydrazinylidene)heptan-3-one
SMILESCCCCC(=O)C/C=N/N(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(12)7-8-10-11(2)3/h8H,4-7H2,1-3H3/b10-8+
InChIKeyZSGXRWJXZISYCC-CSKARUKUSA-N
XLogP1.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-2-en-5-one
CID 15142787
3-oxononanethial
CID 150149545
(1E)-1-(dimethylhydrazinylidene)-4,4-dimethylpentan-3-one
CID 14786271
1-(dimethylamino)heptan-3-one
CID 18322699
4-(dimethylhydrazinylidene)butanoic acid
CID 91543570
3-oxononadecanal
CID 87605711
N,N-dimethyl-3-oxoheptanamide
CID 86682301
methanol;octan-4-one
CID 174820687
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
3-oxoheptanal;2,2,2-trifluoroacetic acid
CID 118916726
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(dimethylhydrazinylidene)heptan-3-one?
The IUPAC name of (1E)-1-(dimethylhydrazinylidene)heptan-3-one (CID 14786269) is (1E)-1-(dimethylhydrazinylidene)heptan-3-one.
What is the SMILES notation for (1E)-1-(dimethylhydrazinylidene)heptan-3-one?
The canonical SMILES for (1E)-1-(dimethylhydrazinylidene)heptan-3-one is CCCCC(=O)C/C=N/N(C)C.
What is the InChIKey of (1E)-1-(dimethylhydrazinylidene)heptan-3-one?
The InChIKey is ZSGXRWJXZISYCC-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-9(12)7-8-10-11(2)3/h8H,4-7H2,1-3H3/b10-8+.
What are the key properties of (1E)-1-(dimethylhydrazinylidene)heptan-3-one?
(1E)-1-(dimethylhydrazinylidene)heptan-3-one has a molecular weight of 170.26 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(dimethylhydrazinylidene)heptan-3-one is sourced from PubChem (CID 14786269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).