3-formyl-N-methylmorpholine-4-carboxamide

C7H12N2O3 — CID 176672537

IUPAC3-formyl-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCOCC1C=O
InChIInChI=1S/C7H12N2O3/c1-8-7(11)9-2-3-12-5-6(9)4-10/h4,6H,2-3,5H2,1H3,(H,8,11)
InChIKeyAQMPVTLXNGEVGN-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.77
Rot. Bonds1

About 3-formyl-N-methylmorpholine-4-carboxamide

3-formyl-N-methylmorpholine-4-carboxamide (PubChem CID 176672537) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-formyl-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name3-formyl-N-methylmorpholine-4-carboxamide
PubChem CID176672537
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-formyl-N-methylmorpholine-4-carboxamide
SMILESCNC(=O)N1CCOCC1C=O
InChIInChI=1S/C7H12N2O3/c1-8-7(11)9-2-3-12-5-6(9)4-10/h4,6H,2-3,5H2,1H3,(H,8,11)
InChIKeyAQMPVTLXNGEVGN-UHFFFAOYSA-N
XLogP-0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde
CID 169206925
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde
CID 167217783
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
3-(hydroxyiminomethyl)morpholine-4-carboxylic acid
CID 143095283
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-methylmorpholine-4-carboxamide?
The IUPAC name of 3-formyl-N-methylmorpholine-4-carboxamide (CID 176672537) is 3-formyl-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for 3-formyl-N-methylmorpholine-4-carboxamide?
The canonical SMILES for 3-formyl-N-methylmorpholine-4-carboxamide is CNC(=O)N1CCOCC1C=O.
What is the InChIKey of 3-formyl-N-methylmorpholine-4-carboxamide?
The InChIKey is AQMPVTLXNGEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-8-7(11)9-2-3-12-5-6(9)4-10/h4,6H,2-3,5H2,1H3,(H,8,11).
What are the key properties of 3-formyl-N-methylmorpholine-4-carboxamide?
3-formyl-N-methylmorpholine-4-carboxamide has a molecular weight of 172.18 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 176672537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).