N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide

C12H11N3O3 — CID 110696889

IUPACN-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2COCC(=O)N2)c1
InChIInChI=1S/C12H11N3O3/c13-5-8-2-1-3-9(4-8)14-12(17)10-6-18-7-11(16)15-10/h1-4,10H,6-7H2,(H,14,17)(H,15,16)
InChIKeyFQMFKCSGFDQYKG-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.01
Rot. Bonds2

About N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide

N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide (PubChem CID 110696889) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
PubChem CID110696889
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)C2COCC(=O)N2)c1
InChIInChI=1S/C12H11N3O3/c13-5-8-2-1-3-9(4-8)14-12(17)10-6-18-7-11(16)15-10/h1-4,10H,6-7H2,(H,14,17)(H,15,16)
InChIKeyFQMFKCSGFDQYKG-UHFFFAOYSA-N
XLogP0.01
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
CID 110696803
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696796
methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
CID 110696837
(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98787879
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
(1R,2R,4S)-N-(3-cyanophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98368145
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide (CID 110696889) is N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide is N#Cc1cccc(NC(=O)C2COCC(=O)N2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is FQMFKCSGFDQYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-5-8-2-1-3-9(4-8)14-12(17)10-6-18-7-11(16)15-10/h1-4,10H,6-7H2,(H,14,17)(H,15,16).
What are the key properties of N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide?
N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).