3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine

C13H21N3O — CID 103019542

IUPAC3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine
SMILESCC(=CCc1ccnn1C)CC1COCCN1
InChIInChI=1S/C13H21N3O/c1-11(9-12-10-17-8-7-14-12)3-4-13-5-6-15-16(13)2/h3,5-6,12,14H,4,7-10H2,1-2H3
InChIKeyJZMCWXPYEQLGIH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.29
Rot. Bonds4

About 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine

3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine (PubChem CID 103019542) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine.

Molecular Properties

Compound Name3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine
PubChem CID103019542
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine
SMILESCC(=CCc1ccnn1C)CC1COCCN1
InChIInChI=1S/C13H21N3O/c1-11(9-12-10-17-8-7-14-12)3-4-13-5-6-15-16(13)2/h3,5-6,12,14H,4,7-10H2,1-2H3
InChIKeyJZMCWXPYEQLGIH-UHFFFAOYSA-N
XLogP1.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-methyl-4-(1-methylpyrazol-4-yl)but-2-enyl]morpholine
CID 103019540
3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462311
3-[(Z)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462313
3-[(Z)-3-(4-fluoro-2-methylphenyl)-2-methylprop-2-enyl]morpholine
CID 114350103
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
CID 102621780
3-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]morpholine
CID 104855441
3-[(Z)-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylprop-2-enyl]morpholine
CID 113462294
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595774
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine?
The IUPAC name of 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine (CID 103019542) is 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine.
What is the SMILES notation for 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine?
The canonical SMILES for 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine is CC(=CCc1ccnn1C)CC1COCCN1.
What is the InChIKey of 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine?
The InChIKey is JZMCWXPYEQLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(9-12-10-17-8-7-14-12)3-4-13-5-6-15-16(13)2/h3,5-6,12,14H,4,7-10H2,1-2H3.
What are the key properties of 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine?
3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(2-methylpyrazol-3-yl)but-2-enyl]morpholine is sourced from PubChem (CID 103019542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).