4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one

C13H17NO3 — CID 141247582

IUPAC4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C(=O)CCN2CCOCC2)=CC1
InChIInChI=1S/C13H17NO3/c15-12-3-1-11(2-4-12)13(16)5-6-14-7-9-17-10-8-14/h1-3H,4-10H2
InChIKeyRYKVHTPKPDPXQF-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.73
Rot. Bonds4

About 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one

4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one (PubChem CID 141247582) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one
PubChem CID141247582
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C(=O)CCN2CCOCC2)=CC1
InChIInChI=1S/C13H17NO3/c15-12-3-1-11(2-4-12)13(16)5-6-14-7-9-17-10-8-14/h1-3H,4-10H2
InChIKeyRYKVHTPKPDPXQF-UHFFFAOYSA-N
XLogP0.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one (CID 141247582) is 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one is O=C1C=CC(C(=O)CCN2CCOCC2)=CC1.
What is the InChIKey of 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one?
The InChIKey is RYKVHTPKPDPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-3-1-11(2-4-12)13(16)5-6-14-7-9-17-10-8-14/h1-3H,4-10H2.
What are the key properties of 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one?
4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one has a molecular weight of 235.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141247582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).