hydrazinecarbonyl 2-methylpent-2-enoate

C7H12N2O3 — CID 173089378

IUPAChydrazinecarbonyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OC(=O)NN
InChIInChI=1S/C7H12N2O3/c1-3-4-5(2)6(10)12-7(11)9-8/h4H,3,8H2,1-2H3,(H,9,11)
InChIKeyZBXLYARQYGCGBW-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.47
Rot. Bonds2

About hydrazinecarbonyl 2-methylpent-2-enoate

hydrazinecarbonyl 2-methylpent-2-enoate (PubChem CID 173089378) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is hydrazinecarbonyl 2-methylpent-2-enoate.

Molecular Properties

Compound Namehydrazinecarbonyl 2-methylpent-2-enoate
PubChem CID173089378
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namehydrazinecarbonyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OC(=O)NN
InChIInChI=1S/C7H12N2O3/c1-3-4-5(2)6(10)12-7(11)9-8/h4H,3,8H2,1-2H3,(H,9,11)
InChIKeyZBXLYARQYGCGBW-UHFFFAOYSA-N
XLogP0.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hydrazinecarbonyl 2-methylpent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
ethyl (E)-2-methylpent-2-enoate
CID 6436311
(carbamoylamino) 2-methylpent-2-enoate
CID 173054896
chloromethyl 2-methylpent-2-enoate
CID 174869785
2-methylpent-2-enoyl 2-methylhexa-2,5-dienoate
CID 173326603
ethylamino 2-methylpent-2-enoate
CID 123727023
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
sulfo 2-methylpent-2-enoate
CID 173010744
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
hydrazinecarbonyl acetate
CID 129117292
trimethyl-[(E)-2-methylpent-2-enoyl]oxyazanium
CID 87439670
3-oxobutanoyl 2-methylpent-2-eneperoxoate
CID 135203619

Frequently Asked Questions

What is the IUPAC name of hydrazinecarbonyl 2-methylpent-2-enoate?
The IUPAC name of hydrazinecarbonyl 2-methylpent-2-enoate (CID 173089378) is hydrazinecarbonyl 2-methylpent-2-enoate.
What is the SMILES notation for hydrazinecarbonyl 2-methylpent-2-enoate?
The canonical SMILES for hydrazinecarbonyl 2-methylpent-2-enoate is CCC=C(C)C(=O)OC(=O)NN.
What is the InChIKey of hydrazinecarbonyl 2-methylpent-2-enoate?
The InChIKey is ZBXLYARQYGCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-3-4-5(2)6(10)12-7(11)9-8/h4H,3,8H2,1-2H3,(H,9,11).
What are the key properties of hydrazinecarbonyl 2-methylpent-2-enoate?
hydrazinecarbonyl 2-methylpent-2-enoate has a molecular weight of 172.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinecarbonyl 2-methylpent-2-enoate is sourced from PubChem (CID 173089378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).