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

C10H13NO2 — CID 141267365

IUPAC4-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(N2CCOCC2)=CC1
InChIInChI=1S/C10H13NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h1-3H,4-8H2
InChIKeySRNTVHKOOGJAEI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.73
Rot. Bonds1

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

4-morpholin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 141267365) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID141267365
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(N2CCOCC2)=CC1
InChIInChI=1S/C10H13NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h1-3H,4-8H2
InChIKeySRNTVHKOOGJAEI-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3E,5Z)-6-fluoro-6-morpholin-4-ylhexa-3,5-dien-2-one
CID 100919343
5-Fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141520784
(E)-5-morpholin-4-ylhex-4-en-3-one
CID 134894545
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
4-Ethylidene-2,7-dimethyl-6-(1-morpholin-4-ylethenyl)dodeca-1,5,7,9-tetraen-3-one
CID 91201698
4-Cyclohexa-1,5-dien-1-ylmorpholine
CID 91535515
2-Morpholin-4-ylcyclohepta-2,4,6-trien-1-one
CID 121216257
(3Z,5Z)-3-amino-7-morpholin-4-ylocta-3,5,7-trien-2-one
CID 129215893
2-Amino-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 139390465
6-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141431317
1-(5-Morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone
CID 142981202
3-Morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
CID 160852428

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 4-morpholin-4-ylcyclohexa-2,4-dien-1-one (CID 141267365) is 4-morpholin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-morpholin-4-ylcyclohexa-2,4-dien-1-one is O=C1C=CC(N2CCOCC2)=CC1.
What is the InChIKey of 4-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is SRNTVHKOOGJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h1-3H,4-8H2.
What are the key properties of 4-morpholin-4-ylcyclohexa-2,4-dien-1-one?
4-morpholin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141267365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).