7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C24H23NO4 — CID 9177931

IUPAC7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1cccc2c1N(CCCOc1cccc3ccccc13)C(=O)C21OCCO1
InChIInChI=1S/C24H23NO4/c1-17-7-4-11-20-22(17)25(23(26)24(20)28-15-16-29-24)13-6-14-27-21-12-5-9-18-8-2-3-10-19(18)21/h2-5,7-12H,6,13-16H2,1H3
InChIKeyDGBSFMWBLMTSAI-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.16
Rot. Bonds5

About 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177931) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177931
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1cccc2c1N(CCCOc1cccc3ccccc13)C(=O)C21OCCO1
InChIInChI=1S/C24H23NO4/c1-17-7-4-11-20-22(17)25(23(26)24(20)28-15-16-29-24)13-6-14-27-21-12-5-9-18-8-2-3-10-19(18)21/h2-5,7-12H,6,13-16H2,1H3
InChIKeyDGBSFMWBLMTSAI-UHFFFAOYSA-N
XLogP4.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177931) is 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1cccc2c1N(CCCOc1cccc3ccccc13)C(=O)C21OCCO1.
What is the InChIKey of 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is DGBSFMWBLMTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17-7-4-11-20-22(17)25(23(26)24(20)28-15-16-29-24)13-6-14-27-21-12-5-9-18-8-2-3-10-19(18)21/h2-5,7-12H,6,13-16H2,1H3.
What are the key properties of 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 389.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methyl-1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).