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

C19H17N3O3 — CID 2832883

IUPAC2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)Nc2ccccc21
InChIInChI=1S/C19H17N3O3/c1-18(2)7-13(23)15-14(8-18)25-16(21)11(9-20)19(15)10-5-3-4-6-12(10)22-17(19)24/h3-6H,7-8,21H2,1-2H3,(H,22,24)
InChIKeyNJCCSFQPVKKHBU-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.24
Rot. Bonds

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

2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile (PubChem CID 2832883) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
PubChem CID2832883
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)Nc2ccccc21
InChIInChI=1S/C19H17N3O3/c1-18(2)7-13(23)15-14(8-18)25-16(21)11(9-20)19(15)10-5-3-4-6-12(10)22-17(19)24/h3-6H,7-8,21H2,1-2H3,(H,22,24)
InChIKeyNJCCSFQPVKKHBU-UHFFFAOYSA-N
XLogP2.24
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The IUPAC name of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile (CID 2832883) is 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The canonical SMILES for 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile is CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)Nc2ccccc21.
What is the InChIKey of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The InChIKey is NJCCSFQPVKKHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-18(2)7-13(23)15-14(8-18)25-16(21)11(9-20)19(15)10-5-3-4-6-12(10)22-17(19)24/h3-6H,7-8,21H2,1-2H3,(H,22,24).
What are the key properties of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile has a molecular weight of 335.36 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile is sourced from PubChem (CID 2832883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).