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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Related Compounds

CID 644733
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CID 567730
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CID 583365
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CID 600599
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CID 690354
CID 690354
CID 691240
CID 691240
CID 2921040
CID 2921040
CID 281156
CID 281156
CID 609514
CID 609514
CID 699047
CID 699047
CID 2856422
CID 2856422
CID 4139750
CID 4139750

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).