4-[(E)-3-methylbut-1-enyl]morpholine

C9H17NO — CID 6452899

IUPAC4-[(E)-3-methylbut-1-enyl]morpholine
SMILESCC(C)/C=C/N1CCOCC1
InChIInChI=1S/C9H17NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyYIWODGWZMHUUBZ-ONEGZZNKSA-N
MW155.24 g/mol
LogP1.49
Rot. Bonds2

About 4-[(E)-3-methylbut-1-enyl]morpholine

4-[(E)-3-methylbut-1-enyl]morpholine (PubChem CID 6452899) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[(E)-3-methylbut-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-methylbut-1-enyl]morpholine
PubChem CID6452899
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[(E)-3-methylbut-1-enyl]morpholine
SMILESCC(C)/C=C/N1CCOCC1
InChIInChI=1S/C9H17NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyYIWODGWZMHUUBZ-ONEGZZNKSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methylbut-1-enyl]morpholine?
The IUPAC name of 4-[(E)-3-methylbut-1-enyl]morpholine (CID 6452899) is 4-[(E)-3-methylbut-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-methylbut-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-methylbut-1-enyl]morpholine is CC(C)/C=C/N1CCOCC1.
What is the InChIKey of 4-[(E)-3-methylbut-1-enyl]morpholine?
The InChIKey is YIWODGWZMHUUBZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-methylbut-1-enyl]morpholine?
4-[(E)-3-methylbut-1-enyl]morpholine has a molecular weight of 155.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methylbut-1-enyl]morpholine is sourced from PubChem (CID 6452899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).