(3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione

C20H19N3O3 — CID 29055361

IUPAC(3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione
SMILESCN1C(=O)[C@@]2(C3=C1CC(C)(C)CC3=O)c1ccccc1-c1oc(N)nc12
InChIInChI=1S/C20H19N3O3/c1-19(2)8-12-14(13(24)9-19)20(17(25)23(12)3)11-7-5-4-6-10(11)15-16(20)22-18(21)26-15/h4-7H,8-9H2,1-3H3,(H2,21,22)/t20-/m1/s1
InChIKeyCBRKEUHDOVXNTR-HXUWFJFHSA-N
MW349.39 g/mol
LogP2.64
Rot. Bonds

About (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione

(3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione (PubChem CID 29055361) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione.

Molecular Properties

Compound Name(3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione
PubChem CID29055361
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione
SMILESCN1C(=O)[C@@]2(C3=C1CC(C)(C)CC3=O)c1ccccc1-c1oc(N)nc12
InChIInChI=1S/C20H19N3O3/c1-19(2)8-12-14(13(24)9-19)20(17(25)23(12)3)11-7-5-4-6-10(11)15-16(20)22-18(21)26-15/h4-7H,8-9H2,1-3H3,(H2,21,22)/t20-/m1/s1
InChIKeyCBRKEUHDOVXNTR-HXUWFJFHSA-N
XLogP2.64
TPSA89.43 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione?
The IUPAC name of (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione (CID 29055361) is (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione.
What is the SMILES notation for (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione?
The canonical SMILES for (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione is CN1C(=O)[C@@]2(C3=C1CC(C)(C)CC3=O)c1ccccc1-c1oc(N)nc12.
What is the InChIKey of (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione?
The InChIKey is CBRKEUHDOVXNTR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-19(2)8-12-14(13(24)9-19)20(17(25)23(12)3)11-7-5-4-6-10(11)15-16(20)22-18(21)26-15/h4-7H,8-9H2,1-3H3,(H2,21,22)/t20-/m1/s1.
What are the key properties of (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione?
(3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-1,6,6-trimethylspiro[5,7-dihydroindole-3,4'-indeno[2,1-d][1,3]oxazole]-2,4-dione is sourced from PubChem (CID 29055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).