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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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).