4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one

C10H14N2O2 — CID 163965647

IUPAC4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one
SMILESNC1=CCC(N2CCOCC2=O)C=C1
InChIInChI=1S/C10H14N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-3,9H,4-7,11H2
InChIKeySLMHZKFLVPSFFO-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.02
Rot. Bonds1

About 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one

4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one (PubChem CID 163965647) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one
PubChem CID163965647
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one
SMILESNC1=CCC(N2CCOCC2=O)C=C1
InChIInChI=1S/C10H14N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-3,9H,4-7,11H2
InChIKeySLMHZKFLVPSFFO-UHFFFAOYSA-N
XLogP0.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-piperidin-4-ylmorpholin-3-one;hydrochloride
CID 53255665
4-cyclobut-2-en-1-yl-6-(methylamino)-1,4-oxazepan-5-one
CID 22984954
N-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
CID 145000877
4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
CID 165497531
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
2-(3-sulfanylidenemorpholin-4-yl)cyclobut-2-en-1-one
CID 25057269
4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one
CID 177141152
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
ethane;4-phosphanylmorpholin-3-one
CID 143048322
4-[4-[5-(aminomethyl)-2-hydroxy-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 123323999
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one?
The IUPAC name of 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one (CID 163965647) is 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one.
What is the SMILES notation for 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one?
The canonical SMILES for 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one is NC1=CCC(N2CCOCC2=O)C=C1.
What is the InChIKey of 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one?
The InChIKey is SLMHZKFLVPSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-3,9H,4-7,11H2.
What are the key properties of 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one?
4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexa-2,4-dien-1-yl)morpholin-3-one is sourced from PubChem (CID 163965647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).