1-morpholin-4-ylpenta-3,4-dien-1-one

C9H13NO2 — CID 57268206

IUPAC1-morpholin-4-ylpenta-3,4-dien-1-one
SMILESC=C=CCC(=O)N1CCOCC1
InChIInChI=1S/C9H13NO2/c1-2-3-4-9(11)10-5-7-12-8-6-10/h3H,1,4-8H2
InChIKeyDGOPQMFYJGIPMM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.58
Rot. Bonds2

About 1-morpholin-4-ylpenta-3,4-dien-1-one

1-morpholin-4-ylpenta-3,4-dien-1-one (PubChem CID 57268206) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-morpholin-4-ylpenta-3,4-dien-1-one.

Molecular Properties

Compound Name1-morpholin-4-ylpenta-3,4-dien-1-one
PubChem CID57268206
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-morpholin-4-ylpenta-3,4-dien-1-one
SMILESC=C=CCC(=O)N1CCOCC1
InChIInChI=1S/C9H13NO2/c1-2-3-4-9(11)10-5-7-12-8-6-10/h3H,1,4-8H2
InChIKeyDGOPQMFYJGIPMM-UHFFFAOYSA-N
XLogP0.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpenta-3,4-dien-1-one?
The IUPAC name of 1-morpholin-4-ylpenta-3,4-dien-1-one (CID 57268206) is 1-morpholin-4-ylpenta-3,4-dien-1-one.
What is the SMILES notation for 1-morpholin-4-ylpenta-3,4-dien-1-one?
The canonical SMILES for 1-morpholin-4-ylpenta-3,4-dien-1-one is C=C=CCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpenta-3,4-dien-1-one?
The InChIKey is DGOPQMFYJGIPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-4-9(11)10-5-7-12-8-6-10/h3H,1,4-8H2.
What are the key properties of 1-morpholin-4-ylpenta-3,4-dien-1-one?
1-morpholin-4-ylpenta-3,4-dien-1-one has a molecular weight of 167.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpenta-3,4-dien-1-one is sourced from PubChem (CID 57268206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).