5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C14H15NO3 — CID 690354

IUPAC5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCO2)c2cc(C)ccc21
InChIInChI=1S/C14H15NO3/c1-3-6-15-12-5-4-10(2)9-11(12)14(13(15)16)17-7-8-18-14/h3-5,9H,1,6-8H2,2H3
InChIKeySXSOPDXHKXLOGA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.73
Rot. Bonds2

About 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one

5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 690354) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID690354
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCO2)c2cc(C)ccc21
InChIInChI=1S/C14H15NO3/c1-3-6-15-12-5-4-10(2)9-11(12)14(13(15)16)17-7-8-18-14/h3-5,9H,1,6-8H2,2H3
InChIKeySXSOPDXHKXLOGA-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 690354) is 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCO2)c2cc(C)ccc21.
What is the InChIKey of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is SXSOPDXHKXLOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-6-15-12-5-4-10(2)9-11(12)14(13(15)16)17-7-8-18-14/h3-5,9H,1,6-8H2,2H3.
What are the key properties of 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 245.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 690354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).