4-[(E)-2-methylbut-2-enyl]morpholine

C9H17NO — CID 15727621

IUPAC4-[(E)-2-methylbut-2-enyl]morpholine
SMILESC/C=C(\C)CN1CCOCC1
InChIInChI=1S/C9H17NO/c1-3-9(2)8-10-4-6-11-7-5-10/h3H,4-8H2,1-2H3/b9-3+
InChIKeyUUFQPKBTNLIQQR-YCRREMRBSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

About 4-[(E)-2-methylbut-2-enyl]morpholine

4-[(E)-2-methylbut-2-enyl]morpholine (PubChem CID 15727621) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[(E)-2-methylbut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-methylbut-2-enyl]morpholine
PubChem CID15727621
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[(E)-2-methylbut-2-enyl]morpholine
SMILESC/C=C(\C)CN1CCOCC1
InChIInChI=1S/C9H17NO/c1-3-9(2)8-10-4-6-11-7-5-10/h3H,4-8H2,1-2H3/b9-3+
InChIKeyUUFQPKBTNLIQQR-YCRREMRBSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(prop-2-enyl)morpholin-4-ium
CID 3143098
4-Methyl-4-(prop-2-en-1-yl)morpholin-4-ium
CID 18617911
4-(2-Methylprop-2-enyl)morpholine
CID 10855555
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-[2-(Morpholin-4-ylmethyl)but-2-enyl]morpholine
CID 11195819
4-[(Z)-but-2-enyl]morpholine
CID 11768672
4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
n-Allyl-n-methylmorpholinium bromide
CID 18617910
1-Morpholino-2-butene
CID 54273278
4-Ethyl-4-prop-2-enylmorpholin-4-ium
CID 68589736
2,3-Dimethyl-2-morpholinobutene
CID 145488126

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methylbut-2-enyl]morpholine?
The IUPAC name of 4-[(E)-2-methylbut-2-enyl]morpholine (CID 15727621) is 4-[(E)-2-methylbut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2-methylbut-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-2-methylbut-2-enyl]morpholine is C/C=C(\C)CN1CCOCC1.
What is the InChIKey of 4-[(E)-2-methylbut-2-enyl]morpholine?
The InChIKey is UUFQPKBTNLIQQR-YCRREMRBSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(2)8-10-4-6-11-7-5-10/h3H,4-8H2,1-2H3/b9-3+.
What are the key properties of 4-[(E)-2-methylbut-2-enyl]morpholine?
4-[(E)-2-methylbut-2-enyl]morpholine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methylbut-2-enyl]morpholine is sourced from PubChem (CID 15727621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).