4-butylmorpholine;prop-1-ene

C11H23NO — CID 143019511

IUPAC4-butylmorpholine;prop-1-ene
SMILESC=CC.CCCCN1CCOCC1
InChIInChI=1S/C8H17NO.C3H6/c1-2-3-4-9-5-7-10-8-6-9;1-3-2/h2-8H2,1H3;3H,1H2,2H3
InChIKeyHLYSRMLJUWKYDC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.31
Rot. Bonds3

About 4-butylmorpholine;prop-1-ene

4-butylmorpholine;prop-1-ene (PubChem CID 143019511) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-butylmorpholine;prop-1-ene.

Molecular Properties

Compound Name4-butylmorpholine;prop-1-ene
PubChem CID143019511
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-butylmorpholine;prop-1-ene
SMILESC=CC.CCCCN1CCOCC1
InChIInChI=1S/C8H17NO.C3H6/c1-2-3-4-9-5-7-10-8-6-9;1-3-2/h2-8H2,1H3;3H,1H2,2H3
InChIKeyHLYSRMLJUWKYDC-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.31
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-butylmorpholine;prop-1-ene?
The IUPAC name of 4-butylmorpholine;prop-1-ene (CID 143019511) is 4-butylmorpholine;prop-1-ene.
What is the SMILES notation for 4-butylmorpholine;prop-1-ene?
The canonical SMILES for 4-butylmorpholine;prop-1-ene is C=CC.CCCCN1CCOCC1.
What is the InChIKey of 4-butylmorpholine;prop-1-ene?
The InChIKey is HLYSRMLJUWKYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C3H6/c1-2-3-4-9-5-7-10-8-6-9;1-3-2/h2-8H2,1H3;3H,1H2,2H3.
What are the key properties of 4-butylmorpholine;prop-1-ene?
4-butylmorpholine;prop-1-ene has a molecular weight of 185.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylmorpholine;prop-1-ene is sourced from PubChem (CID 143019511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).