4-(4-methylpent-4-enyl)morpholine

C10H19NO — CID 89009637

IUPAC4-(4-methylpent-4-enyl)morpholine
SMILESC=C(C)CCCN1CCOCC1
InChIInChI=1S/C10H19NO/c1-10(2)4-3-5-11-6-8-12-9-7-11/h1,3-9H2,2H3
InChIKeyQQPQHQBJFBWXFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds4

About 4-(4-methylpent-4-enyl)morpholine

4-(4-methylpent-4-enyl)morpholine (PubChem CID 89009637) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(4-methylpent-4-enyl)morpholine.

Molecular Properties

Compound Name4-(4-methylpent-4-enyl)morpholine
PubChem CID89009637
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(4-methylpent-4-enyl)morpholine
SMILESC=C(C)CCCN1CCOCC1
InChIInChI=1S/C10H19NO/c1-10(2)4-3-5-11-6-8-12-9-7-11/h1,3-9H2,2H3
InChIKeyQQPQHQBJFBWXFQ-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
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-(4-methylpent-4-enyl)morpholine?
The IUPAC name of 4-(4-methylpent-4-enyl)morpholine (CID 89009637) is 4-(4-methylpent-4-enyl)morpholine.
What is the SMILES notation for 4-(4-methylpent-4-enyl)morpholine?
The canonical SMILES for 4-(4-methylpent-4-enyl)morpholine is C=C(C)CCCN1CCOCC1.
What is the InChIKey of 4-(4-methylpent-4-enyl)morpholine?
The InChIKey is QQPQHQBJFBWXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)4-3-5-11-6-8-12-9-7-11/h1,3-9H2,2H3.
What are the key properties of 4-(4-methylpent-4-enyl)morpholine?
4-(4-methylpent-4-enyl)morpholine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-4-enyl)morpholine is sourced from PubChem (CID 89009637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).