1-(3-methylmorpholin-4-yl)prop-2-en-1-one

C8H13NO2 — CID 43616705

IUPAC1-(3-methylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1C
InChIInChI=1S/C8H13NO2/c1-3-8(10)9-4-5-11-6-7(9)2/h3,7H,1,4-6H2,2H3
InChIKeyNSXOFALHYZPMNH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds1

About 1-(3-methylmorpholin-4-yl)prop-2-en-1-one

1-(3-methylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 43616705) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)prop-2-en-1-one
PubChem CID43616705
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(3-methylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1C
InChIInChI=1S/C8H13NO2/c1-3-8(10)9-4-5-11-6-7(9)2/h3,7H,1,4-6H2,2H3
InChIKeyNSXOFALHYZPMNH-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one (CID 43616705) is 1-(3-methylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)prop-2-en-1-one is C=CC(=O)N1CCOCC1C.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is NSXOFALHYZPMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8(10)9-4-5-11-6-7(9)2/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
1-(3-methylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 43616705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).