3-morpholin-4-ylbut-2-enehydrazide

C8H15N3O2 — CID 54328018

IUPAC3-morpholin-4-ylbut-2-enehydrazide
SMILESCC(=CC(=O)NN)N1CCOCC1
InChIInChI=1S/C8H15N3O2/c1-7(6-8(12)10-9)11-2-4-13-5-3-11/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeySWIDTVNPCLDTJQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.79
Rot. Bonds2

About 3-morpholin-4-ylbut-2-enehydrazide

3-morpholin-4-ylbut-2-enehydrazide (PubChem CID 54328018) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-morpholin-4-ylbut-2-enehydrazide.

Molecular Properties

Compound Name3-morpholin-4-ylbut-2-enehydrazide
PubChem CID54328018
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-morpholin-4-ylbut-2-enehydrazide
SMILESCC(=CC(=O)NN)N1CCOCC1
InChIInChI=1S/C8H15N3O2/c1-7(6-8(12)10-9)11-2-4-13-5-3-11/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeySWIDTVNPCLDTJQ-UHFFFAOYSA-N
XLogP-0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'}

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Related Compounds

3-Morpholinocrotonamide
CID 70579814
(Z)-3-morpholin-4-ylbut-2-enehydrazide
CID 22071979
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
(Z)-3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide
CID 67843813
3-(2,6-Dimethylmorpholin-4-yl)but-2-enehydrazide
CID 67843814
3-Morpholin-4-ylbut-2-enamide
CID 70579815
5-Methyl-4-morpholin-4-yl-1,2-dihydropyrazol-3-one
CID 89850892
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
(Z)-3-amino-1-morpholin-4-ylbut-2-en-1-one
CID 140333365
(E)-4-morpholin-4-ylbut-2-enehydrazide
CID 144832692
1,2-Dihydro-4-(4-morpholinyl)-3,6-pyridazinedione
CID 154141975

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylbut-2-enehydrazide?
The IUPAC name of 3-morpholin-4-ylbut-2-enehydrazide (CID 54328018) is 3-morpholin-4-ylbut-2-enehydrazide.
What is the SMILES notation for 3-morpholin-4-ylbut-2-enehydrazide?
The canonical SMILES for 3-morpholin-4-ylbut-2-enehydrazide is CC(=CC(=O)NN)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylbut-2-enehydrazide?
The InChIKey is SWIDTVNPCLDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(6-8(12)10-9)11-2-4-13-5-3-11/h6H,2-5,9H2,1H3,(H,10,12).
What are the key properties of 3-morpholin-4-ylbut-2-enehydrazide?
3-morpholin-4-ylbut-2-enehydrazide has a molecular weight of 185.23 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylbut-2-enehydrazide is sourced from PubChem (CID 54328018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).