1-morpholin-4-yl-2-prop-2-enoxyethanone

C9H15NO3 — CID 144763613

IUPAC1-morpholin-4-yl-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-5-13-8-9(11)10-3-6-12-7-4-10/h2H,1,3-8H2
InChIKeyKUDODSRCJFXZFP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.05
Rot. Bonds4

About 1-morpholin-4-yl-2-prop-2-enoxyethanone

1-morpholin-4-yl-2-prop-2-enoxyethanone (PubChem CID 144763613) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-prop-2-enoxyethanone
PubChem CID144763613
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-morpholin-4-yl-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)N1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-5-13-8-9(11)10-3-6-12-7-4-10/h2H,1,3-8H2
InChIKeyKUDODSRCJFXZFP-UHFFFAOYSA-N
XLogP0.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-prop-2-enoxyethanone?
The IUPAC name of 1-morpholin-4-yl-2-prop-2-enoxyethanone (CID 144763613) is 1-morpholin-4-yl-2-prop-2-enoxyethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-prop-2-enoxyethanone?
The canonical SMILES for 1-morpholin-4-yl-2-prop-2-enoxyethanone is C=CCOCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-prop-2-enoxyethanone?
The InChIKey is KUDODSRCJFXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-5-13-8-9(11)10-3-6-12-7-4-10/h2H,1,3-8H2.
What are the key properties of 1-morpholin-4-yl-2-prop-2-enoxyethanone?
1-morpholin-4-yl-2-prop-2-enoxyethanone has a molecular weight of 185.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-prop-2-enoxyethanone is sourced from PubChem (CID 144763613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).