2-but-2-enoxypropanehydrazide

C7H14N2O2 — CID 76999476

IUPAC2-but-2-enoxypropanehydrazide
SMILESCC=CCOC(C)C(=O)NN
InChIInChI=1S/C7H14N2O2/c1-3-4-5-11-6(2)7(10)9-8/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyHDDNEUGSKAJMKS-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.04
Rot. Bonds4

About 2-but-2-enoxypropanehydrazide

2-but-2-enoxypropanehydrazide (PubChem CID 76999476) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-but-2-enoxypropanehydrazide.

Molecular Properties

Compound Name2-but-2-enoxypropanehydrazide
PubChem CID76999476
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-but-2-enoxypropanehydrazide
SMILESCC=CCOC(C)C(=O)NN
InChIInChI=1S/C7H14N2O2/c1-3-4-5-11-6(2)7(10)9-8/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyHDDNEUGSKAJMKS-UHFFFAOYSA-N
XLogP-0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
2-methylpent-3-enehydrazide
CID 172737407
but-2-enyl 2-methylbutanoate
CID 3024251
[(E)-but-2-enyl] (3R)-3-hydroxybutanoate
CID 139893647
2-(2-cyclobutylethoxy)propanehydrazide
CID 106206540
1-(1-chloroethoxy)but-2-ene
CID 91247545
2-but-2-enoxycarbonylbutanoic acid
CID 71372006
2-but-2-enoxy-N,3-dimethylbutan-1-amine
CID 76943471
[(E)-but-2-enyl] 2,2-dibromoacetate
CID 19833073
6-but-2-enoxyhexanehydrazide
CID 77024435
but-2-enyl octanoate
CID 141242223
2-but-2-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 76943487

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxypropanehydrazide?
The IUPAC name of 2-but-2-enoxypropanehydrazide (CID 76999476) is 2-but-2-enoxypropanehydrazide.
What is the SMILES notation for 2-but-2-enoxypropanehydrazide?
The canonical SMILES for 2-but-2-enoxypropanehydrazide is CC=CCOC(C)C(=O)NN.
What is the InChIKey of 2-but-2-enoxypropanehydrazide?
The InChIKey is HDDNEUGSKAJMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-5-11-6(2)7(10)9-8/h3-4,6H,5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-but-2-enoxypropanehydrazide?
2-but-2-enoxypropanehydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxypropanehydrazide is sourced from PubChem (CID 76999476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).