(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one

C9H18N2O — CID 14786275

IUPAC(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C\NN(C)C
InChIInChI=1S/C9H18N2O/c1-8(2)7-9(12)5-6-10-11(3)4/h5-6,8,10H,7H2,1-4H3/b6-5-
InChIKeyTXGCVATXKULKPG-WAYWQWQTSA-N
MW170.26 g/mol
LogP1.18
Rot. Bonds5

About (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one

(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one (PubChem CID 14786275) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one
PubChem CID14786275
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C\NN(C)C
InChIInChI=1S/C9H18N2O/c1-8(2)7-9(12)5-6-10-11(3)4/h5-6,8,10H,7H2,1-4H3/b6-5-
InChIKeyTXGCVATXKULKPG-WAYWQWQTSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
CID 131248590
6-methylhept-2-en-4-one
CID 54395514
4-methyl-2-oxopentanethial
CID 123620188
N-ethyl-N,3-dimethylbutanamide
CID 18505916
(E)-1-cyclohexyl-5-methylhex-1-en-3-one
CID 11333035
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
CID 171374936
CID 171374936
methyl 2-(dimethylaminomethylidene)-5-methyl-3-oxohexanoate
CID 76640640
ethyl (Z)-2-hydroxy-6-methyl-4-oxohept-2-enoate
CID 11053233
3-methylbutanoic acid
CID 20849036
N-hydroxy-3-methylbutanamide
CID 13258739
(E)-2,6-dimethyloct-5-en-7-yn-4-one
CID 13317826

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one?
The IUPAC name of (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one (CID 14786275) is (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one.
What is the SMILES notation for (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one?
The canonical SMILES for (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one is CC(C)CC(=O)/C=C\NN(C)C.
What is the InChIKey of (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one?
The InChIKey is TXGCVATXKULKPG-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)7-9(12)5-6-10-11(3)4/h5-6,8,10H,7H2,1-4H3/b6-5-.
What are the key properties of (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one?
(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one has a molecular weight of 170.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one is sourced from PubChem (CID 14786275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).