4-(3-methylbut-3-en-2-yl)morpholine

C9H17NO — CID 12616305

IUPAC4-(3-methylbut-3-en-2-yl)morpholine
SMILESC=C(C)C(C)N1CCOCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(3)10-4-6-11-7-5-10/h9H,1,4-7H2,2-3H3
InChIKeyGDDGXWDHBHAKHO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

About 4-(3-methylbut-3-en-2-yl)morpholine

4-(3-methylbut-3-en-2-yl)morpholine (PubChem CID 12616305) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(3-methylbut-3-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(3-methylbut-3-en-2-yl)morpholine
PubChem CID12616305
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(3-methylbut-3-en-2-yl)morpholine
SMILESC=C(C)C(C)N1CCOCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(3)10-4-6-11-7-5-10/h9H,1,4-7H2,2-3H3
InChIKeyGDDGXWDHBHAKHO-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-3-en-2-yl)morpholine?
The IUPAC name of 4-(3-methylbut-3-en-2-yl)morpholine (CID 12616305) is 4-(3-methylbut-3-en-2-yl)morpholine.
What is the SMILES notation for 4-(3-methylbut-3-en-2-yl)morpholine?
The canonical SMILES for 4-(3-methylbut-3-en-2-yl)morpholine is C=C(C)C(C)N1CCOCC1.
What is the InChIKey of 4-(3-methylbut-3-en-2-yl)morpholine?
The InChIKey is GDDGXWDHBHAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9(3)10-4-6-11-7-5-10/h9H,1,4-7H2,2-3H3.
What are the key properties of 4-(3-methylbut-3-en-2-yl)morpholine?
4-(3-methylbut-3-en-2-yl)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-3-en-2-yl)morpholine is sourced from PubChem (CID 12616305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).