1-(4-acetylmorpholin-2-yl)prop-2-en-1-one

C9H13NO3 — CID 175240131

IUPAC1-(4-acetylmorpholin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CN(C(C)=O)CCO1
InChIInChI=1S/C9H13NO3/c1-3-8(12)9-6-10(7(2)11)4-5-13-9/h3,9H,1,4-6H2,2H3
InChIKeyYJWXJBNXFCGYSV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.01
Rot. Bonds2

About 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one

1-(4-acetylmorpholin-2-yl)prop-2-en-1-one (PubChem CID 175240131) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-acetylmorpholin-2-yl)prop-2-en-1-one
PubChem CID175240131
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(4-acetylmorpholin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CN(C(C)=O)CCO1
InChIInChI=1S/C9H13NO3/c1-3-8(12)9-6-10(7(2)11)4-5-13-9/h3,9H,1,4-6H2,2H3
InChIKeyYJWXJBNXFCGYSV-UHFFFAOYSA-N
XLogP-0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one (CID 175240131) is 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one is C=CC(=O)C1CN(C(C)=O)CCO1.
What is the InChIKey of 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one?
The InChIKey is YJWXJBNXFCGYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-8(12)9-6-10(7(2)11)4-5-13-9/h3,9H,1,4-6H2,2H3.
What are the key properties of 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one?
1-(4-acetylmorpholin-2-yl)prop-2-en-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylmorpholin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 175240131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).