2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile

C22H15N3O4 — CID 134834162

IUPAC2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
SMILESCc1cc2oc(=O)c3c(c2cc1C)OC(N)=C(C#N)C31C(=O)Nc2ccccc21
InChIInChI=1S/C22H15N3O4/c1-10-7-12-16(8-11(10)2)28-20(26)17-18(12)29-19(24)14(9-23)22(17)13-5-3-4-6-15(13)25-21(22)27/h3-8H,24H2,1-2H3,(H,25,27)
InChIKeyAOPPUIBGLBMCGB-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.73
Rot. Bonds

About 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile

2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile (PubChem CID 134834162) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
PubChem CID134834162
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
SMILESCc1cc2oc(=O)c3c(c2cc1C)OC(N)=C(C#N)C31C(=O)Nc2ccccc21
InChIInChI=1S/C22H15N3O4/c1-10-7-12-16(8-11(10)2)28-20(26)17-18(12)29-19(24)14(9-23)22(17)13-5-3-4-6-15(13)25-21(22)27/h3-8H,24H2,1-2H3,(H,25,27)
InChIKeyAOPPUIBGLBMCGB-UHFFFAOYSA-N
XLogP2.73
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2'-amino-8',10'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 98609919
(3S)-2'-amino-5-chloro-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 41009569
5'-amino-2-oxospiro[1H-indole-3,3'-6-oxa-15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),4,8,10,12,14,16,18,20,22,24-dodecaene]-4'-carbonitrile
CID 102203715
5'-amino-5,18',19'-trimethyl-2-oxospiro[1H-indole-3,3'-6-oxa-15,22-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),4,8,10,12,14,16(21),17,19-decaene]-4'-carbonitrile
CID 102203720
(3S)-2'-amino-6'-(hydroxymethyl)-2,8'-dioxospiro[1H-indole-3,4'-pyrano[3,2-b]pyran]-3'-carbonitrile
CID 715947
(3R)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031849
2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
CID 5299353
(3S)-2'-amino-1-ethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 7348379
(3R)-2'-amino-1-butyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 41281761
(3R)-1-acetyl-2'-amino-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 1216359
(3R)-2'-amino-7'-methyl-2,5'-dioxo-6'-[[(2S)-oxolan-2-yl]methyl]spiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 41031851
(3S)-6'-amino-2-oxo-3'-phenylspiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1036077

Frequently Asked Questions

What is the IUPAC name of 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
The IUPAC name of 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile (CID 134834162) is 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
The canonical SMILES for 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile is Cc1cc2oc(=O)c3c(c2cc1C)OC(N)=C(C#N)C31C(=O)Nc2ccccc21.
What is the InChIKey of 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
The InChIKey is AOPPUIBGLBMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c1-10-7-12-16(8-11(10)2)28-20(26)17-18(12)29-19(24)14(9-23)22(17)13-5-3-4-6-15(13)25-21(22)27/h3-8H,24H2,1-2H3,(H,25,27).
What are the key properties of 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile has a molecular weight of 385.38 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-8',9'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile is sourced from PubChem (CID 134834162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).