3-[(Z)-but-1-enyl]-4-methylmorpholine

C9H17NO — CID 90058858

IUPAC3-[(Z)-but-1-enyl]-4-methylmorpholine
SMILESCC/C=C\C1COCCN1C
InChIInChI=1S/C9H17NO/c1-3-4-5-9-8-11-7-6-10(9)2/h4-5,9H,3,6-8H2,1-2H3/b5-4-
InChIKeyOABBAEZZJZNTIQ-PLNGDYQASA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-4-methylmorpholine

3-[(Z)-but-1-enyl]-4-methylmorpholine (PubChem CID 90058858) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-4-methylmorpholine.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-4-methylmorpholine
PubChem CID90058858
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-[(Z)-but-1-enyl]-4-methylmorpholine
SMILESCC/C=C\C1COCCN1C
InChIInChI=1S/C9H17NO/c1-3-4-5-9-8-11-7-6-10(9)2/h4-5,9H,3,6-8H2,1-2H3/b5-4-
InChIKeyOABBAEZZJZNTIQ-PLNGDYQASA-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 3-[(Z)-but-1-enyl]-4-methylmorpholine?
The IUPAC name of 3-[(Z)-but-1-enyl]-4-methylmorpholine (CID 90058858) is 3-[(Z)-but-1-enyl]-4-methylmorpholine.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-4-methylmorpholine?
The canonical SMILES for 3-[(Z)-but-1-enyl]-4-methylmorpholine is CC/C=C\C1COCCN1C.
What is the InChIKey of 3-[(Z)-but-1-enyl]-4-methylmorpholine?
The InChIKey is OABBAEZZJZNTIQ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-5-9-8-11-7-6-10(9)2/h4-5,9H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of 3-[(Z)-but-1-enyl]-4-methylmorpholine?
3-[(Z)-but-1-enyl]-4-methylmorpholine 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 3-[(Z)-but-1-enyl]-4-methylmorpholine is sourced from PubChem (CID 90058858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).