1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

C14H10N4O3 — CID 609701

IUPAC1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CC1(C(N)=O)C2C(O)(c3ccccc3)NC(=O)C21C#N
InChIInChI=1S/C14H10N4O3/c15-6-12(10(17)19)9-13(12,7-16)11(20)18-14(9,21)8-4-2-1-3-5-8/h1-5,9,21H,(H2,17,19)(H,18,20)
InChIKeyXRLLAVAEWJRGMB-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.90
Rot. Bonds2

About 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide

1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 609701) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID609701
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CC1(C(N)=O)C2C(O)(c3ccccc3)NC(=O)C21C#N
InChIInChI=1S/C14H10N4O3/c15-6-12(10(17)19)9-13(12,7-16)11(20)18-14(9,21)8-4-2-1-3-5-8/h1-5,9,21H,(H2,17,19)(H,18,20)
InChIKeyXRLLAVAEWJRGMB-UHFFFAOYSA-N
XLogP-0.90
TPSA140.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide 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-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 85145045
(1R,5R)-6-benzoyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 98083117
(3R,4R,5R)-8-amino-3-hydroxy-4-methyl-1,6-dioxo-3-phenyl-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
CID 98085178
(1R,3R,5S,8S)-5-hydroxy-8-methyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
CID 930319
(1R,3S,5S,8R)-5-hydroxy-8-methyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
CID 98349352
(1R,3S,4S,5S,8R)-5-hydroxy-4,8-dimethyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
CID 98349534
(1S,4R,5R)-4-hydroxy-4-methyl-2-oxo-5-phenyl-3-azabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
CID 723198
(3R,4S,5R,6R)-4-(3-bromophenyl)-5-cyano-6-hydroxy-2-oxo-6-phenylpiperidine-3-carboxamide
CID 7375155
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
(1R,4S,7S,8R)-1-hydroxy-3-oxo-8-phenyl-7-propyl-2-azabicyclo[2.2.2]octane-4,5,5-tricarbonitrile
CID 671886
(4R,5R)-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 729895
2-(1-phenylcyclopropanecarbonyl)propanedinitrile
CID 79168773

Frequently Asked Questions

What is the IUPAC name of 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 609701) is 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is N#CC1(C(N)=O)C2C(O)(c3ccccc3)NC(=O)C21C#N.
What is the InChIKey of 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XRLLAVAEWJRGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-6-12(10(17)19)9-13(12,7-16)11(20)18-14(9,21)8-4-2-1-3-5-8/h1-5,9,21H,(H2,17,19)(H,18,20).
What are the key properties of 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide?
1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 282.26 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dicyano-4-hydroxy-2-oxo-4-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 609701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).