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

C18H14ClNO4 — CID 134139065

IUPAC1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2
InChIKeyJKOPVQRJUBHTDV-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.77
Rot. Bonds3

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

1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 134139065) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID134139065
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2
InChIKeyJKOPVQRJUBHTDV-UHFFFAOYSA-N
XLogP2.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 134139065) is 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is JKOPVQRJUBHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2.
What are the key properties of 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 343.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 134139065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).