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

C20H19N3O3 — CID 3156111

IUPAC2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21
InChIInChI=1S/C20H19N3O3/c1-19(2)8-14(24)16-15(9-19)26-17(22)12(10-21)20(16)11-6-4-5-7-13(11)23(3)18(20)25/h4-7H,8-9,22H2,1-3H3
InChIKeyBIBTZWOJCLHBOX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.27
Rot. Bonds

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

2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile (PubChem CID 3156111) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
PubChem CID3156111
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21
InChIInChI=1S/C20H19N3O3/c1-19(2)8-14(24)16-15(9-19)26-17(22)12(10-21)20(16)11-6-4-5-7-13(11)23(3)18(20)25/h4-7H,8-9,22H2,1-3H3
InChIKeyBIBTZWOJCLHBOX-UHFFFAOYSA-N
XLogP2.27
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile?
The IUPAC name of 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile (CID 3156111) is 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile?
The canonical SMILES for 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile is CN1C(=O)C2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21.
What is the InChIKey of 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile?
The InChIKey is BIBTZWOJCLHBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-19(2)8-14(24)16-15(9-19)26-17(22)12(10-21)20(16)11-6-4-5-7-13(11)23(3)18(20)25/h4-7H,8-9,22H2,1-3H3.
What are the key properties of 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile?
2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 3156111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).