4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C16H19ClN2O4 — CID 567730

IUPAC4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCOCC2)c2ccccc2C12OCC(CCl)O2
InChIInChI=1S/C16H19ClN2O4/c17-9-12-10-22-16(23-12)13-3-1-2-4-14(13)19(15(16)20)11-18-5-7-21-8-6-18/h1-4,12H,5-11H2
InChIKeyMRAGSXXFMHQZGC-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.13
Rot. Bonds3

About 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 567730) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID567730
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCOCC2)c2ccccc2C12OCC(CCl)O2
InChIInChI=1S/C16H19ClN2O4/c17-9-12-10-22-16(23-12)13-3-1-2-4-14(13)19(15(16)20)11-18-5-7-21-8-6-18/h1-4,12H,5-11H2
InChIKeyMRAGSXXFMHQZGC-UHFFFAOYSA-N
XLogP1.13
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 567730) is 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(CN2CCOCC2)c2ccccc2C12OCC(CCl)O2.
What is the InChIKey of 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is MRAGSXXFMHQZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c17-9-12-10-22-16(23-12)13-3-1-2-4-14(13)19(15(16)20)11-18-5-7-21-8-6-18/h1-4,12H,5-11H2.
What are the key properties of 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 338.79 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 567730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).