3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide

C9H14N2O2 — CID 139963351

IUPAC3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide
SMILESC=C(C)C(=O)NNC(=O)C=C(C)C
InChIInChI=1S/C9H14N2O2/c1-6(2)5-8(12)10-11-9(13)7(3)4/h5H,3H2,1-2,4H3,(H,10,12)(H,11,13)
InChIKeyLLKAGKCBOPXTTI-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide

3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide (PubChem CID 139963351) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide.

Molecular Properties

Compound Name3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide
PubChem CID139963351
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide
SMILESC=C(C)C(=O)NNC(=O)C=C(C)C
InChIInChI=1S/C9H14N2O2/c1-6(2)5-8(12)10-11-9(13)7(3)4/h5H,3H2,1-2,4H3,(H,10,12)(H,11,13)
InChIKeyLLKAGKCBOPXTTI-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
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

N',3-dimethylbut-2-enehydrazide
CID 148501677
3-methyl-N-(1-sulfanylethenyl)but-2-enamide
CID 89009191
N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide
CID 175440169
N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride
CID 18998007
N'-ethyl-2-methylprop-2-enehydrazide
CID 18424014
6-N'-(2-methylprop-2-enoyl)hexanedihydrazide
CID 162361441
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-methylbut-2-enehydrazide
CID 47102488
(E)-3-(2-methylprop-2-enoylamino)but-2-enoic acid
CID 88902776
N,2-dimethylprop-2-enamide;ethane
CID 142291054
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid
CID 88922229
3-methyl-N'-[4-(trifluoromethyl)phenyl]but-2-enehydrazide
CID 176904824

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide?
The IUPAC name of 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide (CID 139963351) is 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide.
What is the SMILES notation for 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide?
The canonical SMILES for 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide is C=C(C)C(=O)NNC(=O)C=C(C)C.
What is the InChIKey of 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide?
The InChIKey is LLKAGKCBOPXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)5-8(12)10-11-9(13)7(3)4/h5H,3H2,1-2,4H3,(H,10,12)(H,11,13).
What are the key properties of 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide?
3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide has a molecular weight of 182.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide is sourced from PubChem (CID 139963351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).