(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile

C20H17N3O3 — CID 7266507

IUPAC(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile
SMILESC=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O
InChIInChI=1S/C20H17N3O3/c1-2-10-23-14-7-5-8-15(24)17(14)20(19(23)25)12-6-3-4-9-16(12)26-18(22)13(20)11-21/h2-4,6,9H,1,5,7-8,10,22H2/t20-/m1/s1
InChIKeyVWDBDLWWFBDFDO-HXUWFJFHSA-N
MW347.37 g/mol
LogP2.05
Rot. Bonds2

About (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile

(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile (PubChem CID 7266507) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile
PubChem CID7266507
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile
SMILESC=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O
InChIInChI=1S/C20H17N3O3/c1-2-10-23-14-7-5-8-15(24)17(14)20(19(23)25)12-6-3-4-9-16(12)26-18(22)13(20)11-21/h2-4,6,9H,1,5,7-8,10,22H2/t20-/m1/s1
InChIKeyVWDBDLWWFBDFDO-HXUWFJFHSA-N
XLogP2.05
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile (CID 7266507) is (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile is C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O.
What is the InChIKey of (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile?
The InChIKey is VWDBDLWWFBDFDO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-2-10-23-14-7-5-8-15(24)17(14)20(19(23)25)12-6-3-4-9-16(12)26-18(22)13(20)11-21/h2-4,6,9H,1,5,7-8,10,22H2/t20-/m1/s1.
What are the key properties of (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile?
(3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-2,4-dioxo-1-prop-2-enylspiro[6,7-dihydro-5H-indole-3,4'-chromene]-3'-carbonitrile is sourced from PubChem (CID 7266507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).