1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one

C14H15NO3 — CID 2991603

IUPAC1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-2-8-15-12-7-4-3-6-11(12)14(13(15)16)17-9-5-10-18-14/h2-4,6-7H,1,5,8-10H2
InChIKeyKYCROIFSNXZNDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.81
Rot. Bonds2

About 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 2991603) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID2991603
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-2-8-15-12-7-4-3-6-11(12)14(13(15)16)17-9-5-10-18-14/h2-4,6-7H,1,5,8-10H2
InChIKeyKYCROIFSNXZNDI-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 2991603) is 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCCO2)c2ccccc21.
What is the InChIKey of 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is KYCROIFSNXZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-8-15-12-7-4-3-6-11(12)14(13(15)16)17-9-5-10-18-14/h2-4,6-7H,1,5,8-10H2.
What are the key properties of 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 245.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 2991603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).