N,N'-dimethylbut-2-enehydrazide

C6H12N2O — CID 54426397

IUPACN,N'-dimethylbut-2-enehydrazide
SMILESCC=CC(=O)N(C)NC
InChIInChI=1S/C6H12N2O/c1-4-5-6(9)8(3)7-2/h4-5,7H,1-3H3
InChIKeyWEJRLPMBWFEXFR-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.16
Rot. Bonds2

About N,N'-dimethylbut-2-enehydrazide

N,N'-dimethylbut-2-enehydrazide (PubChem CID 54426397) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N,N'-dimethylbut-2-enehydrazide.

Molecular Properties

Compound NameN,N'-dimethylbut-2-enehydrazide
PubChem CID54426397
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN,N'-dimethylbut-2-enehydrazide
SMILESCC=CC(=O)N(C)NC
InChIInChI=1S/C6H12N2O/c1-4-5-6(9)8(3)7-2/h4-5,7H,1-3H3
InChIKeyWEJRLPMBWFEXFR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylbut-2-enehydrazide?
The IUPAC name of N,N'-dimethylbut-2-enehydrazide (CID 54426397) is N,N'-dimethylbut-2-enehydrazide.
What is the SMILES notation for N,N'-dimethylbut-2-enehydrazide?
The canonical SMILES for N,N'-dimethylbut-2-enehydrazide is CC=CC(=O)N(C)NC.
What is the InChIKey of N,N'-dimethylbut-2-enehydrazide?
The InChIKey is WEJRLPMBWFEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5-6(9)8(3)7-2/h4-5,7H,1-3H3.
What are the key properties of N,N'-dimethylbut-2-enehydrazide?
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 N,N'-dimethylbut-2-enehydrazide is sourced from PubChem (CID 54426397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).