(3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile

C23H15N3O4 — CID 1215539

IUPAC(3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
SMILESC=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21
InChIInChI=1S/C23H15N3O4/c1-2-11-26-16-9-5-4-8-14(16)23(22(26)28)15(12-24)20(25)30-19-13-7-3-6-10-17(13)29-21(27)18(19)23/h2-10H,1,11,25H2/t23-/m1/s1
InChIKeyFHXYIGJNHAFDTE-HSZRJFAPSA-N
MW397.39 g/mol
LogP2.70
Rot. Bonds2

About (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile

(3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile (PubChem CID 1215539) has the molecular formula C23H15N3O4 and a molecular weight of 397.39 g/mol. Its IUPAC name is (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
PubChem CID1215539
Molecular FormulaC23H15N3O4
Molecular Weight397.39 g/mol
Exact Mass397.11
IUPAC Name(3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
SMILESC=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21
InChIInChI=1S/C23H15N3O4/c1-2-11-26-16-9-5-4-8-14(16)23(22(26)28)15(12-24)20(25)30-19-13-7-3-6-10-17(13)29-21(27)18(19)23/h2-10H,1,11,25H2/t23-/m1/s1
InChIKeyFHXYIGJNHAFDTE-HSZRJFAPSA-N
XLogP2.70
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2'-amino-1-ethyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 7348379
(3S)-2'-amino-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 41281756
(3R)-2'-amino-1-butyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 41281761
tert-butyl 2-(2'-amino-3'-cyano-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-1-yl)acetate
CID 17273140
(3R)-1-acetyl-2'-amino-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 1216359
(4S)-6-amino-3-ethyl-2'-oxo-1'-prop-2-enylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 845682
ethyl (3S)-2'-amino-2,4-dioxo-1'-prop-2-enylspiro[furo[3,2-c]chromene-3,4'-quinoline]-3'-carboxylate
CID 29093546
2-methoxyethyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
CID 3711505
(3S)-2'-amino-5-chloro-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile
CID 41009569
2'-amino-1-[(4-fluorophenyl)methyl]-6'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
CID 5299133
2'-amino-1-[(3-fluorophenyl)methyl]-7'-methyl-2,5'-dioxo-6'-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
CID 18886564
methyl 2-[(3S)-2'-amino-3'-cyano-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-1-yl]acetate
CID 1272609

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile (CID 1215539) is (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile is C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21.
What is the InChIKey of (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
The InChIKey is FHXYIGJNHAFDTE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H15N3O4/c1-2-11-26-16-9-5-4-8-14(16)23(22(26)28)15(12-24)20(25)30-19-13-7-3-6-10-17(13)29-21(27)18(19)23/h2-10H,1,11,25H2/t23-/m1/s1.
What are the key properties of (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile?
(3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile has a molecular weight of 397.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-2,5'-dioxo-1-prop-2-enylspiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carbonitrile is sourced from PubChem (CID 1215539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).