3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide

C10H19N3O2 — CID 67843814

IUPAC3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide
SMILESCC(=CC(=O)NN)N1CC(C)OC(C)C1
InChIInChI=1S/C10H19N3O2/c1-7(4-10(14)12-11)13-5-8(2)15-9(3)6-13/h4,8-9H,5-6,11H2,1-3H3,(H,12,14)
InChIKeyRRANHOFEVYPNBV-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.01
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide

3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide (PubChem CID 67843814) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide
PubChem CID67843814
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide
SMILESCC(=CC(=O)NN)N1CC(C)OC(C)C1
InChIInChI=1S/C10H19N3O2/c1-7(4-10(14)12-11)13-5-8(2)15-9(3)6-13/h4,8-9H,5-6,11H2,1-3H3,(H,12,14)
InChIKeyRRANHOFEVYPNBV-UHFFFAOYSA-N
XLogP-0.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.01
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

(Z)-3-morpholin-4-ylbut-2-enehydrazide
CID 22071979
3-Morpholin-4-ylbut-2-enehydrazide
CID 54328018
(Z)-3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide
CID 67843813
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyridazin-6-one
CID 104961956
6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyridin-2-one
CID 170627180
6-(2-methylmorpholin-4-yl)-1H-pyrazolo[1,5-a]pyridin-2-one
CID 174204808
5-methyl-2-(2-morpholin-4-ylethyl)-1H-pyrazol-3-one
CID 102406423
5-(2,6-Dimethylmorpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466312
4-(2,6-dimethylmorpholin-4-yl)-1H-pyridazin-6-one
CID 114393019
4-(2-methylmorpholin-4-yl)-1H-pyridazin-6-one
CID 114393022

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide (CID 67843814) is 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide is CC(=CC(=O)NN)N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide?
The InChIKey is RRANHOFEVYPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(4-10(14)12-11)13-5-8(2)15-9(3)6-13/h4,8-9H,5-6,11H2,1-3H3,(H,12,14).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide?
3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide has a molecular weight of 213.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)but-2-enehydrazide is sourced from PubChem (CID 67843814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).