3-butyl-4-prop-2-enylmorpholine

C11H21NO — CID 175912707

IUPAC3-butyl-4-prop-2-enylmorpholine
SMILESC=CCN1CCOCC1CCCC
InChIInChI=1S/C11H21NO/c1-3-5-6-11-10-13-9-8-12(11)7-4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyRHRFSKOPCRJFRU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds5

About 3-butyl-4-prop-2-enylmorpholine

3-butyl-4-prop-2-enylmorpholine (PubChem CID 175912707) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-butyl-4-prop-2-enylmorpholine.

Molecular Properties

Compound Name3-butyl-4-prop-2-enylmorpholine
PubChem CID175912707
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-butyl-4-prop-2-enylmorpholine
SMILESC=CCN1CCOCC1CCCC
InChIInChI=1S/C11H21NO/c1-3-5-6-11-10-13-9-8-12(11)7-4-2/h4,11H,2-3,5-10H2,1H3
InChIKeyRHRFSKOPCRJFRU-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
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-butyl-4-prop-2-enylmorpholine?
The IUPAC name of 3-butyl-4-prop-2-enylmorpholine (CID 175912707) is 3-butyl-4-prop-2-enylmorpholine.
What is the SMILES notation for 3-butyl-4-prop-2-enylmorpholine?
The canonical SMILES for 3-butyl-4-prop-2-enylmorpholine is C=CCN1CCOCC1CCCC.
What is the InChIKey of 3-butyl-4-prop-2-enylmorpholine?
The InChIKey is RHRFSKOPCRJFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-6-11-10-13-9-8-12(11)7-4-2/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 3-butyl-4-prop-2-enylmorpholine?
3-butyl-4-prop-2-enylmorpholine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-prop-2-enylmorpholine is sourced from PubChem (CID 175912707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).