2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide

C8H12N2O2 — CID 549757

IUPAC2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NNC(=O)C(=C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)7(11)9-10-8(12)6(3)4/h1,3H2,2,4H3,(H,9,11)(H,10,12)
InChIKeyYVSAXJOEMVINBR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds2

About 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide

2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide (PubChem CID 549757) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide.

Molecular Properties

Compound Name2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
PubChem CID549757
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NNC(=O)C(=C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)7(11)9-10-8(12)6(3)4/h1,3H2,2,4H3,(H,9,11)(H,10,12)
InChIKeyYVSAXJOEMVINBR-UHFFFAOYSA-N
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
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

2-Methylprop-2-enehydrazide
CID 12243027
N',N',2-trimethylprop-2-enehydrazide
CID 22020426
Methacrylo hydrazide hydrobromide
CID 155666627
N'-(cyanoacetyl)-2-methylprop-2-enehydrazide
CID 20399770
2-Methylfumarohydrazide
CID 13604440
Tris(2-methylprop-2-enoylamino)-propylazanium
CID 18188491
N'-ethyl-2-methylprop-2-enehydrazide
CID 18424014
N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide
CID 18998008
N'-hydroxy-2-methylprop-2-enehydrazide
CID 20061722
(Z)-2-methylbut-2-enedihydrazide
CID 20242849
N'-(2-methylprop-2-enoyl)butanehydrazide
CID 20591624
2-Methylidenebutanehydrazide
CID 21280193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The IUPAC name of 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide (CID 549757) is 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide.
What is the SMILES notation for 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The canonical SMILES for 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide is C=C(C)C(=O)NNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The InChIKey is YVSAXJOEMVINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)7(11)9-10-8(12)6(3)4/h1,3H2,2,4H3,(H,9,11)(H,10,12).
What are the key properties of 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide is sourced from PubChem (CID 549757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).