(E)-N,N'-dimethylbut-2-enehydrazide

C6H12N2O — CID 88655369

IUPAC(E)-N,N'-dimethylbut-2-enehydrazide
SMILESC/C=C/C(=O)N(C)NC
InChIInChI=1S/C6H12N2O/c1-4-5-6(9)8(3)7-2/h4-5,7H,1-3H3/b5-4+
InChIKeyWEJRLPMBWFEXFR-SNAWJCMRSA-N
MW128.17 g/mol
LogP0.16
Rot. Bonds2

About (E)-N,N'-dimethylbut-2-enehydrazide

(E)-N,N'-dimethylbut-2-enehydrazide (PubChem CID 88655369) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (E)-N,N'-dimethylbut-2-enehydrazide.

Molecular Properties

Compound Name(E)-N,N'-dimethylbut-2-enehydrazide
PubChem CID88655369
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(E)-N,N'-dimethylbut-2-enehydrazide
SMILESC/C=C/C(=O)N(C)NC
InChIInChI=1S/C6H12N2O/c1-4-5-6(9)8(3)7-2/h4-5,7H,1-3H3/b5-4+
InChIKeyWEJRLPMBWFEXFR-SNAWJCMRSA-N
XLogP0.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-Hydroxy-1-methylpyridazin-6(1H)-one
CID 95157
2,5-dimethyl-1H-pyridazine-3,6-dione
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CID 21704825
Einecs 265-780-9
CID 6455141
N',N'-dimethylprop-2-enehydrazide
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N,N'-dimethylprop-2-enehydrazide
CID 23183837
N-methylprop-2-enehydrazide
CID 53690741
But-2-enoyl-dimethyl-(propylamino)azanium
CID 54013485
1-N,1-N',4-N,4-N'-tetramethylbut-2-enedihydrazide
CID 54202343
N,N'-dimethylbut-2-enehydrazide
CID 54426397
N'-but-2-enylbut-2-enehydrazide
CID 57127357
2-Methyl-1,6-dihydropyridazin-3-one
CID 57672228

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dimethylbut-2-enehydrazide?
The IUPAC name of (E)-N,N'-dimethylbut-2-enehydrazide (CID 88655369) is (E)-N,N'-dimethylbut-2-enehydrazide.
What is the SMILES notation for (E)-N,N'-dimethylbut-2-enehydrazide?
The canonical SMILES for (E)-N,N'-dimethylbut-2-enehydrazide is C/C=C/C(=O)N(C)NC.
What is the InChIKey of (E)-N,N'-dimethylbut-2-enehydrazide?
The InChIKey is WEJRLPMBWFEXFR-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5-6(9)8(3)7-2/h4-5,7H,1-3H3/b5-4+.
What are the key properties of (E)-N,N'-dimethylbut-2-enehydrazide?
(E)-N,N'-dimethylbut-2-enehydrazide has a molecular weight of 128.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dimethylbut-2-enehydrazide is sourced from PubChem (CID 88655369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).