7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C20H28ClNO3 — CID 18889713

IUPAC7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCCCCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21
InChIInChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-8-9-13-22-18-16(11-10-12-17(18)21)20(19(22)23)24-14-15-25-20/h10-12H,2-9,13-15H2,1H3
InChIKeyMEAWBTSGGBROJA-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.03
Rot. Bonds9

About 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one

7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 18889713) has the molecular formula C20H28ClNO3 and a molecular weight of 365.90 g/mol. Its IUPAC name is 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID18889713
Molecular FormulaC20H28ClNO3
Molecular Weight365.90 g/mol
Exact Mass365.18
IUPAC Name7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCCCCCCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21
InChIInChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-8-9-13-22-18-16(11-10-12-17(18)21)20(19(22)23)24-14-15-25-20/h10-12H,2-9,13-15H2,1H3
InChIKeyMEAWBTSGGBROJA-UHFFFAOYSA-N
XLogP5.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 18889713) is 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one is CCCCCCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21.
What is the InChIKey of 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is MEAWBTSGGBROJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-8-9-13-22-18-16(11-10-12-17(18)21)20(19(22)23)24-14-15-25-20/h10-12H,2-9,13-15H2,1H3.
What are the key properties of 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 365.90 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).