1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one

C24H19NO3 — CID 10737820

IUPAC1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
SMILESCC(=O)N1C(=O)C2(OCC2(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19NO3/c1-17(26)25-21-15-9-8-14-20(21)24(22(25)27)23(16-28-24,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3
InChIKeyOGRCKBDUMJGWLB-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.79
Rot. Bonds2

About 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one

1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one (PubChem CID 10737820) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one.

Molecular Properties

Compound Name1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
PubChem CID10737820
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
SMILESCC(=O)N1C(=O)C2(OCC2(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19NO3/c1-17(26)25-21-15-9-8-14-20(21)24(22(25)27)23(16-28-24,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3
InChIKeyOGRCKBDUMJGWLB-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 57409056
CID 57409056
1-acetyl-3,3-diethylindol-2-one
CID 59379162
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
CID 101072475
(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
CID 10981857
1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586538
1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
CID 58811757
(1S,9R,11S,14S)-1',8-diacetyl-14-methyl-12-phenylspiro[10,15,17,18-tetraoxa-8,13-diazapentacyclo[7.6.2.111,14.01,9.02,7]octadeca-2,4,6,12-tetraene-16,3'-indole]-2'-one
CID 102213359
(1S,5R,6R)-1'-acetylspiro[2,7-dioxabicyclo[3.2.0]hept-3-ene-6,3'-indole]-2'-one
CID 11821233
(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 26183224
CID 11180733
CID 11180733

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one?
The IUPAC name of 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one (CID 10737820) is 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one.
What is the SMILES notation for 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one?
The canonical SMILES for 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one is CC(=O)N1C(=O)C2(OCC2(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one?
The InChIKey is OGRCKBDUMJGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-17(26)25-21-15-9-8-14-20(21)24(22(25)27)23(16-28-24,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3.
What are the key properties of 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one?
1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one has a molecular weight of 369.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one is sourced from PubChem (CID 10737820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).