4-(4-methyl-3-nitrophenyl)morpholin-3-one

C11H12N2O4 — CID 165481709

IUPAC4-(4-methyl-3-nitrophenyl)morpholin-3-one
SMILESCc1ccc(N2CCOCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O4/c1-8-2-3-9(6-10(8)13(15)16)12-4-5-17-7-11(12)14/h2-3,6H,4-5,7H2,1H3
InChIKeyJCSXGCAQZDACFZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.27
Rot. Bonds2

About 4-(4-methyl-3-nitrophenyl)morpholin-3-one

4-(4-methyl-3-nitrophenyl)morpholin-3-one (PubChem CID 165481709) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(4-methyl-3-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-methyl-3-nitrophenyl)morpholin-3-one
PubChem CID165481709
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-(4-methyl-3-nitrophenyl)morpholin-3-one
SMILESCc1ccc(N2CCOCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O4/c1-8-2-3-9(6-10(8)13(15)16)12-4-5-17-7-11(12)14/h2-3,6H,4-5,7H2,1H3
InChIKeyJCSXGCAQZDACFZ-UHFFFAOYSA-N
XLogP1.27
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-(2,3-dimethyl-6-nitrophenyl)morpholin-3-one
CID 165482127
1-(4-methyl-3-nitrophenyl)-4-sulfanylpyrrolidin-2-one
CID 168708909
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
S-[1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705583
(3aS,4R,7S,7aR)-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 749867
1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711758
4,10,16,22-tetrakis(3-methylphenyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-3,11,15,23-tetrone
CID 100991495
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
(3aR,7aS)-5,6-dimethyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 845827

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-nitrophenyl)morpholin-3-one?
The IUPAC name of 4-(4-methyl-3-nitrophenyl)morpholin-3-one (CID 165481709) is 4-(4-methyl-3-nitrophenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-methyl-3-nitrophenyl)morpholin-3-one?
The canonical SMILES for 4-(4-methyl-3-nitrophenyl)morpholin-3-one is Cc1ccc(N2CCOCC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-3-nitrophenyl)morpholin-3-one?
The InChIKey is JCSXGCAQZDACFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-8-2-3-9(6-10(8)13(15)16)12-4-5-17-7-11(12)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(4-methyl-3-nitrophenyl)morpholin-3-one?
4-(4-methyl-3-nitrophenyl)morpholin-3-one has a molecular weight of 236.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 165481709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).