4-(3-methylbut-2-enyl)morpholine

C9H17NO — CID 12585158

IUPAC4-(3-methylbut-2-enyl)morpholine
SMILESCC(C)=CCN1CCOCC1
InChIInChI=1S/C9H17NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3H,4-8H2,1-2H3
InChIKeyCQCIVWWWLNHMQG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

About 4-(3-methylbut-2-enyl)morpholine

4-(3-methylbut-2-enyl)morpholine (PubChem CID 12585158) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(3-methylbut-2-enyl)morpholine.

Molecular Properties

Compound Name4-(3-methylbut-2-enyl)morpholine
PubChem CID12585158
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(3-methylbut-2-enyl)morpholine
SMILESCC(C)=CCN1CCOCC1
InChIInChI=1S/C9H17NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3H,4-8H2,1-2H3
InChIKeyCQCIVWWWLNHMQG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enyl)morpholine?
The IUPAC name of 4-(3-methylbut-2-enyl)morpholine (CID 12585158) is 4-(3-methylbut-2-enyl)morpholine.
What is the SMILES notation for 4-(3-methylbut-2-enyl)morpholine?
The canonical SMILES for 4-(3-methylbut-2-enyl)morpholine is CC(C)=CCN1CCOCC1.
What is the InChIKey of 4-(3-methylbut-2-enyl)morpholine?
The InChIKey is CQCIVWWWLNHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)3-4-10-5-7-11-8-6-10/h3H,4-8H2,1-2H3.
What are the key properties of 4-(3-methylbut-2-enyl)morpholine?
4-(3-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-(3-methylbut-2-enyl)morpholine is sourced from PubChem (CID 12585158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).