1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C22H17NO4 — CID 134145172

IUPAC1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO4/c24-20(17-10-9-15-5-1-2-6-16(15)13-17)14-23-19-8-4-3-7-18(19)22(21(23)25)26-11-12-27-22/h1-10,13H,11-12,14H2
InChIKeyAHXSGHNCIVPWQD-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.27
Rot. Bonds3

About 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 134145172) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID134145172
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO4/c24-20(17-10-9-15-5-1-2-6-16(15)13-17)14-23-19-8-4-3-7-18(19)22(21(23)25)26-11-12-27-22/h1-10,13H,11-12,14H2
InChIKeyAHXSGHNCIVPWQD-UHFFFAOYSA-N
XLogP3.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 134145172) is 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is AHXSGHNCIVPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-20(17-10-9-15-5-1-2-6-16(15)13-17)14-23-19-8-4-3-7-18(19)22(21(23)25)26-11-12-27-22/h1-10,13H,11-12,14H2.
What are the key properties of 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 359.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-naphthalen-2-yl-2-oxoethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 134145172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).