2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile

C19H15N3O4 — CID 3240000

IUPAC2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21
InChIInChI=1S/C19H15N3O4/c1-3-22-13-7-5-4-6-11(13)19(18(22)24)12(9-20)16(21)26-14-8-10(2)25-17(23)15(14)19/h4-8H,3,21H2,1-2H3
InChIKeyYKPIWXGMXKYFKP-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.69
Rot. Bonds1

About 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile

2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (PubChem CID 3240000) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
PubChem CID3240000
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21
InChIInChI=1S/C19H15N3O4/c1-3-22-13-7-5-4-6-11(13)19(18(22)24)12(9-20)16(21)26-14-8-10(2)25-17(23)15(14)19/h4-8H,3,21H2,1-2H3
InChIKeyYKPIWXGMXKYFKP-UHFFFAOYSA-N
XLogP1.69
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The IUPAC name of 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (CID 3240000) is 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The canonical SMILES for 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is CCN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21.
What is the InChIKey of 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
The InChIKey is YKPIWXGMXKYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-3-22-13-7-5-4-6-11(13)19(18(22)24)12(9-20)16(21)26-14-8-10(2)25-17(23)15(14)19/h4-8H,3,21H2,1-2H3.
What are the key properties of 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile?
2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile has a molecular weight of 349.35 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-1-ethyl-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is sourced from PubChem (CID 3240000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).