6-morpholin-4-ylcyclohexa-2,4-dien-1-one

C10H13NO2 — CID 141431317

IUPAC6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1N1CCOCC1
InChIInChI=1S/C10H13NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h1-4,9H,5-8H2
InChIKeyHVWUEIUBYCBAGC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.38
Rot. Bonds1

About 6-morpholin-4-ylcyclohexa-2,4-dien-1-one

6-morpholin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 141431317) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-morpholin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-morpholin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID141431317
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1N1CCOCC1
InChIInChI=1S/C10H13NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h1-4,9H,5-8H2
InChIKeyHVWUEIUBYCBAGC-UHFFFAOYSA-N
XLogP0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-morpholin-4-ylcyclohexa-2,4-dien-1-one (CID 141431317) is 6-morpholin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-morpholin-4-ylcyclohexa-2,4-dien-1-one is O=C1C=CC=CC1N1CCOCC1.
What is the InChIKey of 6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is HVWUEIUBYCBAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h1-4,9H,5-8H2.
What are the key properties of 6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
6-morpholin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141431317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).