1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one

C18H13NO3 — CID 101072475

IUPAC1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
SMILESCC(=O)N1C(=O)C2(OC=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C18H13NO3/c1-12(20)19-16-10-6-5-9-14(16)18(17(19)21)15(11-22-18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyOXNOIYXTZNJSSO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.85
Rot. Bonds1

About 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one

1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one (PubChem CID 101072475) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one.

Molecular Properties

Compound Name1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
PubChem CID101072475
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
SMILESCC(=O)N1C(=O)C2(OC=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C18H13NO3/c1-12(20)19-16-10-6-5-9-14(16)18(17(19)21)15(11-22-18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyOXNOIYXTZNJSSO-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-3,3-diethylindol-2-one
CID 59379162
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524
1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
CID 10737820
1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
CID 58811757
CID 57409056
CID 57409056
1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
(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
(2R)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348558
(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348560
(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586538
(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
CID 10981857

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one?
The IUPAC name of 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one (CID 101072475) is 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one.
What is the SMILES notation for 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one?
The canonical SMILES for 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one is CC(=O)N1C(=O)C2(OC=C2c2ccccc2)c2ccccc21.
What is the InChIKey of 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one?
The InChIKey is OXNOIYXTZNJSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-12(20)19-16-10-6-5-9-14(16)18(17(19)21)15(11-22-18)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one?
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one has a molecular weight of 291.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one is sourced from PubChem (CID 101072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).