(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

C14H7N3O3 — CID 98083117

IUPAC(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
SMILESN#C[C@]12C(=O)NC(=O)[C@]1(C#N)C2C(=O)c1ccccc1
InChIInChI=1S/C14H7N3O3/c15-6-13-10(9(18)8-4-2-1-3-5-8)14(13,7-16)12(20)17-11(13)19/h1-5,10H,(H,17,19,20)/t13-,14-/m0/s1
InChIKeyMNHCXUORFGREIR-KBPBESRZSA-N
MW265.23 g/mol
LogP0.18
Rot. Bonds2

About (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile (PubChem CID 98083117) has the molecular formula C14H7N3O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile.

Molecular Properties

Compound Name(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
PubChem CID98083117
Molecular FormulaC14H7N3O3
Molecular Weight265.23 g/mol
Exact Mass265.05
IUPAC Name(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
SMILESN#C[C@]12C(=O)NC(=O)[C@]1(C#N)C2C(=O)c1ccccc1
InChIInChI=1S/C14H7N3O3/c15-6-13-10(9(18)8-4-2-1-3-5-8)14(13,7-16)12(20)17-11(13)19/h1-5,10H,(H,17,19,20)/t13-,14-/m0/s1
InChIKeyMNHCXUORFGREIR-KBPBESRZSA-N
XLogP0.18
TPSA110.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile with MolForge

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Related Compounds

1-benzoyl-6-oxaspiro[2.5]octane-2,2-dicarbonitrile
CID 5057494
(2R,5R)-2-benzoyl-5-phenyl-2H-furan-5-carbonitrile
CID 98104086
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
(1R,5S)-6-(2-methoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 8607007
1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 609701
(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 124528060
3-benzoylpyrrolidine-2,5-dione
CID 15178182
(1R,5S)-6-(4-chlorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 6993512
cis-(2R,3R)-2-benzoyl-3-(4-bromophenyl)cyclopropane-1,1-dicarbonitrile
CID 11405427
2-benzoylcyclopentane-1,3-dione
CID 15625879
benzoic acid;formonitrile
CID 68717416
9,10-dihydroacridin-9-yl(phenyl)methanone
CID 59539896

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
The IUPAC name of (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile (CID 98083117) is (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile.
What is the SMILES notation for (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
The canonical SMILES for (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile is N#C[C@]12C(=O)NC(=O)[C@]1(C#N)C2C(=O)c1ccccc1.
What is the InChIKey of (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
The InChIKey is MNHCXUORFGREIR-KBPBESRZSA-N. The full InChI is InChI=1S/C14H7N3O3/c15-6-13-10(9(18)8-4-2-1-3-5-8)14(13,7-16)12(20)17-11(13)19/h1-5,10H,(H,17,19,20)/t13-,14-/m0/s1.
What are the key properties of (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile?
(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile has a molecular weight of 265.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile is sourced from PubChem (CID 98083117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).