2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile

C15H9N3O4 — CID 139214645

IUPAC2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile
SMILES[H]/N=C1\OC2=C(C(=O)OC2)C2(C(=O)Nc3ccccc32)C1C#N
InChIInChI=1S/C15H9N3O4/c16-5-8-12(17)22-10-6-21-13(19)11(10)15(8)7-3-1-2-4-9(7)18-14(15)20/h1-4,8,17H,6H2,(H,18,20)/b17-12-
InChIKeyVCJRUWAJZFUOHM-ATVHPVEESA-N
MW295.25 g/mol
LogP0.83
Rot. Bonds

About 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile

2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile (PubChem CID 139214645) has the molecular formula C15H9N3O4 and a molecular weight of 295.25 g/mol. Its IUPAC name is 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile.

Molecular Properties

Compound Name2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile
PubChem CID139214645
Molecular FormulaC15H9N3O4
Molecular Weight295.25 g/mol
Exact Mass295.06
IUPAC Name2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile
SMILES[H]/N=C1\OC2=C(C(=O)OC2)C2(C(=O)Nc3ccccc32)C1C#N
InChIInChI=1S/C15H9N3O4/c16-5-8-12(17)22-10-6-21-13(19)11(10)15(8)7-3-1-2-4-9(7)18-14(15)20/h1-4,8,17H,6H2,(H,18,20)/b17-12-
InChIKeyVCJRUWAJZFUOHM-ATVHPVEESA-N
XLogP0.83
TPSA112.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-3-cyano-2-imino-7,7-dimethyl-2',5-dioxospiro[6,8-dihydro-3H-chromene-4,3'-indole]-1'-yl]acetamide
CID 91897019
(3S,3'R)-2'-imino-1'-[(4-methoxyphenyl)methyl]-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carbonitrile
CID 98588228
2'-imino-1'-[2-(4-methoxyphenyl)ethyl]-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carbonitrile
CID 91962311
(3R,3'S)-2'-imino-1'-[2-(4-methoxyphenyl)ethyl]-2-oxospiro[1H-indole-3,4'-5,6,7,8-tetrahydro-3H-quinoline]-3'-carbonitrile
CID 98882099
(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
CID 7305443
(1'S,4'R)-2-oxospiro[1H-indole-3,3'-bicyclo[2.2.1]hept-5-ene]-2'-carbonitrile
CID 127053093
3,3-bis[3-(4-bromoanilino)-5-oxo-2H-furan-4-yl]-1H-indol-2-one
CID 71474761
2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile
CID 146680270
(1'S,3S,4'aR)-2'-imino-2-oxospiro[1H-indole-3,4'-4a,5,6,7-tetrahydro-1H-naphthalene]-1',3',3'-tricarbonitrile
CID 11859182
(3R,8'aR)-6'-imino-2'-methyl-2-oxospiro[1H-indole-3,8'-2,3,5,8a-tetrahydro-1H-isoquinolin-2-ium]-5',7',7'-tricarbonitrile
CID 7103481
(4aS,8R,8aR)-6-imino-2-methyl-2'-oxospiro[1,3,4,4a,5,8a-hexahydroisoquinoline-8,3'-1H-indole]-5,7,7-tricarbonitrile
CID 11898430
2'-morpholin-4-yl-2,4',7'-trioxospiro[1H-indole-3,5'-6,8-dihydro-4aH-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
CID 137266944

Frequently Asked Questions

What is the IUPAC name of 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile?
The IUPAC name of 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile (CID 139214645) is 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile.
What is the SMILES notation for 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile?
The canonical SMILES for 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile is [H]/N=C1\OC2=C(C(=O)OC2)C2(C(=O)Nc3ccccc32)C1C#N.
What is the InChIKey of 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile?
The InChIKey is VCJRUWAJZFUOHM-ATVHPVEESA-N. The full InChI is InChI=1S/C15H9N3O4/c16-5-8-12(17)22-10-6-21-13(19)11(10)15(8)7-3-1-2-4-9(7)18-14(15)20/h1-4,8,17H,6H2,(H,18,20)/b17-12-.
What are the key properties of 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile?
2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile has a molecular weight of 295.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile is sourced from PubChem (CID 139214645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).