3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine

C13H21N3O — CID 114532942

IUPAC3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine
SMILESC/C(=C/Cc1nccn1C)CC1COCCN1
InChIInChI=1S/C13H21N3O/c1-11(9-12-10-17-8-6-14-12)3-4-13-15-5-7-16(13)2/h3,5,7,12,14H,4,6,8-10H2,1-2H3/b11-3-
InChIKeySAYPCHZOCNPOCJ-JYOAFUTRSA-N
MW235.33 g/mol
LogP1.29
Rot. Bonds4

About 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine

3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine (PubChem CID 114532942) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine.

Molecular Properties

Compound Name3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine
PubChem CID114532942
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine
SMILESC/C(=C/Cc1nccn1C)CC1COCCN1
InChIInChI=1S/C13H21N3O/c1-11(9-12-10-17-8-6-14-12)3-4-13-15-5-7-16(13)2/h3,5,7,12,14H,4,6,8-10H2,1-2H3/b11-3-
InChIKeySAYPCHZOCNPOCJ-JYOAFUTRSA-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

(3S)-4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
CID 95120212
3-[2-Fluoro-2-(1-propylimidazol-2-yl)propyl]morpholine
CID 113462374
3-[2-Fluoro-2-(1-methylimidazol-2-yl)propyl]morpholine
CID 116011141
3-[3-(1-Ethylimidazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 116011148
3-[2-(1-Ethylimidazol-2-yl)-2-fluoropropyl]morpholine
CID 116011247
3-[2-Fluoro-2-methyl-3-(1-methylimidazol-2-yl)propyl]morpholine
CID 116011257
3-[2-Fluoro-2-methyl-3-(1-propylimidazol-2-yl)propyl]morpholine
CID 116011323
4-(1H-imidazol-2-ylmethyl)-3-propylmorpholine
CID 50949621
6-(1H-imidazol-2-yl)-4-methyl-8-(oxan-3-yl)-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
CID 68760928
6-(1H-imidazol-2-yl)-4-methyl-8-[(3R)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
CID 68762506
6-(1H-imidazol-2-yl)-4-methyl-8-[(3S)-oxan-3-yl]-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidin-2-amine
CID 68763042
4-Cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine
CID 91513500

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine?
The IUPAC name of 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine (CID 114532942) is 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine.
What is the SMILES notation for 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine?
The canonical SMILES for 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine is C/C(=C/Cc1nccn1C)CC1COCCN1.
What is the InChIKey of 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine?
The InChIKey is SAYPCHZOCNPOCJ-JYOAFUTRSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(9-12-10-17-8-6-14-12)3-4-13-15-5-7-16(13)2/h3,5,7,12,14H,4,6,8-10H2,1-2H3/b11-3-.
What are the key properties of 3-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine?
3-[(Z)-2-methyl-4-(1-methylimidazol-2-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-[(Z)-2-methyl-4-(1-methylimidazol-2-yl)but-2-enyl]morpholine is sourced from PubChem (CID 114532942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).