(1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

C23H20N4O2 — CID 8608396

IUPAC(1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
SMILESN#C[C@]12C3(N=C(N)[C@@]1(C#N)C2(Cc1ccccc1)Cc1ccccc1)OCCO3
InChIInChI=1S/C23H20N4O2/c24-15-21-19(26)27-23(28-11-12-29-23)22(21,16-25)20(21,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-14H2,(H2,26,27)/t21-,22+/m0/s1
InChIKeyUNLFKZMYCCIJRC-FCHUYYIVSA-N
MW384.44 g/mol
LogP2.56
Rot. Bonds4

About (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

(1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile (PubChem CID 8608396) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.

Molecular Properties

Compound Name(1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
PubChem CID8608396
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
SMILESN#C[C@]12C3(N=C(N)[C@@]1(C#N)C2(Cc1ccccc1)Cc1ccccc1)OCCO3
InChIInChI=1S/C23H20N4O2/c24-15-21-19(26)27-23(28-11-12-29-23)22(21,16-25)20(21,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-14H2,(H2,26,27)/t21-,22+/m0/s1
InChIKeyUNLFKZMYCCIJRC-FCHUYYIVSA-N
XLogP2.56
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile with MolForge

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Related Compounds

(1'S,2S,4R,5'R,6'S)-2'-amino-6'-benzyl-4,6'-dimethylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8609548
(1'S,5'R,6'R)-2'-amino-6'-(4-bromophenyl)-6'-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8608488
(1'S,2R,4R,5'R)-2'-amino-6',6'-dibenzyl-4-methylspiro[1,3-dioxolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8609513
CID 8608631
CID 8608631
(1'S,5'R,6'R)-2'-amino-6'-(4-phenylmethoxyphenyl)spiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 7343860
(1'S,2R,4S,5'R,6'S)-2'-amino-6'-benzyl-4,6'-dimethylspiro[1,3-dioxolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8609542
(1'R,5'S,6'R)-2'-amino-6'-(3-chlorophenyl)spiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 26525013
2'-amino-6'-(3-chlorophenyl)spiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 3354288
(1S,5S)-2-amino-1'-benzyl-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-piperidine]-1,5-dicarbonitrile
CID 98073065
2-benzyloxane-2-carbonitrile
CID 12030268
(3'aR,4'R,7'aR)-3'-amino-6'-methyl-4'-phenylspiro[1,3-dioxolane-2,1'-4,5-dihydropyrrolo[3,4-c]pyridine]-3'a,7'a-dicarbonitrile
CID 6545819
(1'S,2R,5'R)-2'-amino-6',6'-dibutylspiro[1,3-oxathiolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607855

Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The IUPAC name of (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile (CID 8608396) is (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.
What is the SMILES notation for (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The canonical SMILES for (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile is N#C[C@]12C3(N=C(N)[C@@]1(C#N)C2(Cc1ccccc1)Cc1ccccc1)OCCO3.
What is the InChIKey of (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The InChIKey is UNLFKZMYCCIJRC-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-15-21-19(26)27-23(28-11-12-29-23)22(21,16-25)20(21,13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-14H2,(H2,26,27)/t21-,22+/m0/s1.
What are the key properties of (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
(1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile has a molecular weight of 384.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-2'-amino-6',6'-dibenzylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile is sourced from PubChem (CID 8608396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).