1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H19NO4 — CID 9177767

IUPAC1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCOc1ccccc1CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-2-22-17-10-6-3-7-14(17)13-20-16-9-5-4-8-15(16)19(18(20)21)23-11-12-24-19/h3-10H,2,11-13H2,1H3
InChIKeyNWXXECNCKAPSTI-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.83
Rot. Bonds4

About 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177767) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177767
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCOc1ccccc1CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-2-22-17-10-6-3-7-14(17)13-20-16-9-5-4-8-15(16)19(18(20)21)23-11-12-24-19/h3-10H,2,11-13H2,1H3
InChIKeyNWXXECNCKAPSTI-UHFFFAOYSA-N
XLogP2.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177767) is 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is CCOc1ccccc1CN1C(=O)C2(OCCO2)c2ccccc21.
What is the InChIKey of 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is NWXXECNCKAPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-22-17-10-6-3-7-14(17)13-20-16-9-5-4-8-15(16)19(18(20)21)23-11-12-24-19/h3-10H,2,11-13H2,1H3.
What are the key properties of 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 325.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-ethoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).