2-but-3-en-2-yloxy-1-morpholin-4-ylethanone

C10H17NO3 — CID 70497158

IUPAC2-but-3-en-2-yloxy-1-morpholin-4-ylethanone
SMILESC=CC(C)OCC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-9(2)14-8-10(12)11-4-6-13-7-5-11/h3,9H,1,4-8H2,2H3
InChIKeyUSYBRPZRFIAESY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.44
Rot. Bonds4

About 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone

2-but-3-en-2-yloxy-1-morpholin-4-ylethanone (PubChem CID 70497158) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-1-morpholin-4-ylethanone
PubChem CID70497158
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-but-3-en-2-yloxy-1-morpholin-4-ylethanone
SMILESC=CC(C)OCC(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-9(2)14-8-10(12)11-4-6-13-7-5-11/h3,9H,1,4-8H2,2H3
InChIKeyUSYBRPZRFIAESY-UHFFFAOYSA-N
XLogP0.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone (CID 70497158) is 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone is C=CC(C)OCC(=O)N1CCOCC1.
What is the InChIKey of 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone?
The InChIKey is USYBRPZRFIAESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-9(2)14-8-10(12)11-4-6-13-7-5-11/h3,9H,1,4-8H2,2H3.
What are the key properties of 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone?
2-but-3-en-2-yloxy-1-morpholin-4-ylethanone has a molecular weight of 199.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 70497158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).