1,4-dioxane;N-prop-2-enylprop-2-enehydrazide

C10H18N2O3 — CID 174255725

IUPAC1,4-dioxane;N-prop-2-enylprop-2-enehydrazide
SMILESC1COCCO1.C=CCN(N)C(=O)C=C
InChIInChI=1S/C6H10N2O.C4H8O2/c1-3-5-8(7)6(9)4-2;1-2-6-4-3-5-1/h3-4H,1-2,5,7H2;1-4H2
InChIKeyVIFFAHRWTDQEGJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds3

About 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide

1,4-dioxane;N-prop-2-enylprop-2-enehydrazide (PubChem CID 174255725) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide.

Molecular Properties

Compound Name1,4-dioxane;N-prop-2-enylprop-2-enehydrazide
PubChem CID174255725
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1,4-dioxane;N-prop-2-enylprop-2-enehydrazide
SMILESC1COCCO1.C=CCN(N)C(=O)C=C
InChIInChI=1S/C6H10N2O.C4H8O2/c1-3-5-8(7)6(9)4-2;1-2-6-4-3-5-1/h3-4H,1-2,5,7H2;1-4H2
InChIKeyVIFFAHRWTDQEGJ-UHFFFAOYSA-N
XLogP0.09
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 88672663
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N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 173377477
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
CID 88654004
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
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CID 135128737
1-morpholin-4-yl-2-[phosphanyl(prop-2-enyl)amino]ethanone
CID 90069008
N-ethyl-N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87932412
dimethyl(silyloxy)silane;oxirane;prop-2-enoic acid
CID 173330109
oxirane;prop-2-en-1-ol;hydrate
CID 175380970
3-ethyl-N,N-bis(prop-2-enyl)oxetane-3-carboxamide
CID 84579166
3-morpholin-4-yl-1-prop-2-enyl-1-sulfanylurea
CID 87837606

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide?
The IUPAC name of 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide (CID 174255725) is 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide.
What is the SMILES notation for 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide?
The canonical SMILES for 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide is C1COCCO1.C=CCN(N)C(=O)C=C.
What is the InChIKey of 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide?
The InChIKey is VIFFAHRWTDQEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C4H8O2/c1-3-5-8(7)6(9)4-2;1-2-6-4-3-5-1/h3-4H,1-2,5,7H2;1-4H2.
What are the key properties of 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide?
1,4-dioxane;N-prop-2-enylprop-2-enehydrazide has a molecular weight of 214.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;N-prop-2-enylprop-2-enehydrazide is sourced from PubChem (CID 174255725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).