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

C10H10N4O2 — CID 8609155

IUPAC(1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
SMILESC[C@H]1CO[C@@]2(N=C(N)[C@@]3(C#N)C[C@@]23C#N)O1
InChIInChI=1S/C10H10N4O2/c1-6-2-15-10(16-6)9(5-12)3-8(9,4-11)7(13)14-10/h6H,2-3H2,1H3,(H2,13,14)/t6-,8-,9-,10+/m0/s1
InChIKeyFTXDSMQBINPJKM-MIBSWOBISA-N
MW218.22 g/mol
LogP-0.13
Rot. Bonds

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

(1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile (PubChem CID 8609155) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.

Molecular Properties

Compound Name(1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
PubChem CID8609155
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
SMILESC[C@H]1CO[C@@]2(N=C(N)[C@@]3(C#N)C[C@@]23C#N)O1
InChIInChI=1S/C10H10N4O2/c1-6-2-15-10(16-6)9(5-12)3-8(9,4-11)7(13)14-10/h6H,2-3H2,1H3,(H2,13,14)/t6-,8-,9-,10+/m0/s1
InChIKeyFTXDSMQBINPJKM-MIBSWOBISA-N
XLogP-0.13
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The IUPAC name of (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile (CID 8609155) is (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.
What is the SMILES notation for (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The canonical SMILES for (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile is C[C@H]1CO[C@@]2(N=C(N)[C@@]3(C#N)C[C@@]23C#N)O1.
What is the InChIKey of (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The InChIKey is FTXDSMQBINPJKM-MIBSWOBISA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-2-15-10(16-6)9(5-12)3-8(9,4-11)7(13)14-10/h6H,2-3H2,1H3,(H2,13,14)/t6-,8-,9-,10+/m0/s1.
What are the key properties of (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
(1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile has a molecular weight of 218.22 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2R,4S,5'R)-2'-amino-4-methylspiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile is sourced from PubChem (CID 8609155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).