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

C9H15NO2 — CID 43616761

IUPAC1-(3-ethylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC
InChIInChI=1S/C9H15NO2/c1-3-8-7-12-6-5-10(8)9(11)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyYCSOTJPNPHMXRR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

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

1-(3-ethylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 43616761) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-ethylmorpholin-4-yl)prop-2-en-1-one
PubChem CID43616761
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-ethylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC
InChIInChI=1S/C9H15NO2/c1-3-8-7-12-6-5-10(8)9(11)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyYCSOTJPNPHMXRR-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
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-ethylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one (CID 43616761) is 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one is C=CC(=O)N1CCOCC1CC.
What is the InChIKey of 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is YCSOTJPNPHMXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8-7-12-6-5-10(8)9(11)4-2/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one?
1-(3-ethylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 43616761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).