2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile

C20H19N3O3 — CID 3126134

IUPAC2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H19N3O3/c1-10-4-5-13-11(6-10)20(18(25)23-13)12(9-21)17(22)26-15-8-19(2,3)7-14(24)16(15)20/h4-6H,7-8,22H2,1-3H3,(H,23,25)
InChIKeySCAFMTIQVPMSAN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.55
Rot. Bonds

About 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile

2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile (PubChem CID 3126134) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
PubChem CID3126134
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H19N3O3/c1-10-4-5-13-11(6-10)20(18(25)23-13)12(9-21)17(22)26-15-8-19(2,3)7-14(24)16(15)20/h4-6H,7-8,22H2,1-3H3,(H,23,25)
InChIKeySCAFMTIQVPMSAN-UHFFFAOYSA-N
XLogP2.55
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The IUPAC name of 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile (CID 3126134) is 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile is Cc1ccc2c(c1)C1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The InChIKey is SCAFMTIQVPMSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-10-4-5-13-11(6-10)20(18(25)23-13)12(9-21)17(22)26-15-8-19(2,3)7-14(24)16(15)20/h4-6H,7-8,22H2,1-3H3,(H,23,25).
What are the key properties of 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile is sourced from PubChem (CID 3126134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).