(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one

C24H17NO4 — CID 10981857

IUPAC(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)[C@]2(O[C@]3(c4ccccc4)Oc4ccccc4[C@@H]32)c2ccccc21
InChIInChI=1S/C24H17NO4/c1-15(26)25-19-13-7-6-12-18(19)23(22(25)27)21-17-11-5-8-14-20(17)28-24(21,29-23)16-9-3-2-4-10-16/h2-14,21H,1H3/t21-,23+,24+/m1/s1
InChIKeyNWGIPDZGSBUSFK-NHTMILBNSA-N
MW383.40 g/mol
LogP3.83
Rot. Bonds1

About (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one

(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one (PubChem CID 10981857) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
PubChem CID10981857
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
SMILESCC(=O)N1C(=O)[C@]2(O[C@]3(c4ccccc4)Oc4ccccc4[C@@H]32)c2ccccc21
InChIInChI=1S/C24H17NO4/c1-15(26)25-19-13-7-6-12-18(19)23(22(25)27)21-17-11-5-8-14-20(17)28-24(21,29-23)16-9-3-2-4-10-16/h2-14,21H,1H3/t21-,23+,24+/m1/s1
InChIKeyNWGIPDZGSBUSFK-NHTMILBNSA-N
XLogP3.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,8S,9R,11R,12S)-1'-acetyl-13-benzhydrylidenespiro[10-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6-triene-11,3'-indole]-2'-one
CID 10553287
1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
CID 10737820
(1S,5R,6R)-1'-acetylspiro[2,7-dioxabicyclo[3.2.0]hept-3-ene-6,3'-indole]-2'-one
CID 11821233
methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate
CID 91726916
(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 26183224
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
CID 57409056
CID 57409056
(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348560
(2R)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348558
(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586538

Frequently Asked Questions

What is the IUPAC name of (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one?
The IUPAC name of (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one (CID 10981857) is (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one.
What is the SMILES notation for (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one?
The canonical SMILES for (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one is CC(=O)N1C(=O)[C@]2(O[C@]3(c4ccccc4)Oc4ccccc4[C@@H]32)c2ccccc21.
What is the InChIKey of (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one?
The InChIKey is NWGIPDZGSBUSFK-NHTMILBNSA-N. The full InChI is InChI=1S/C24H17NO4/c1-15(26)25-19-13-7-6-12-18(19)23(22(25)27)21-17-11-5-8-14-20(17)28-24(21,29-23)16-9-3-2-4-10-16/h2-14,21H,1H3/t21-,23+,24+/m1/s1.
What are the key properties of (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one?
(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one has a molecular weight of 383.40 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one is sourced from PubChem (CID 10981857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).