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

C14H14ClNO3 — CID 9150101

IUPAC7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21
InChIInChI=1S/C14H14ClNO3/c1-2-7-16-12-10(5-3-6-11(12)15)14(13(16)17)18-8-4-9-19-14/h2-3,5-6H,1,4,7-9H2
InChIKeyVHUVMMUMLHITDC-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.46
Rot. Bonds2

About 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one

7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9150101) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9150101
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESC=CCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21
InChIInChI=1S/C14H14ClNO3/c1-2-7-16-12-10(5-3-6-11(12)15)14(13(16)17)18-8-4-9-19-14/h2-3,5-6H,1,4,7-9H2
InChIKeyVHUVMMUMLHITDC-UHFFFAOYSA-N
XLogP2.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.46
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 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9150101) is 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is C=CCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21.
What is the InChIKey of 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is VHUVMMUMLHITDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-2-7-16-12-10(5-3-6-11(12)15)14(13(16)17)18-8-4-9-19-14/h2-3,5-6H,1,4,7-9H2.
What are the key properties of 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one?
7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 279.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-1'-prop-2-enylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9150101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).