7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C19H22N2O4 — CID 171983346

IUPAC7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1cccc2c1N(CC#CCN1CCOCC1)C(=O)C21OCCO1
InChIInChI=1S/C19H22N2O4/c1-15-5-4-6-16-17(15)21(18(22)19(16)24-13-14-25-19)8-3-2-7-20-9-11-23-12-10-20/h4-6H,7-14H2,1H3
InChIKeyRNWOHFJOKYYYFA-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.88
Rot. Bonds2

About 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 171983346) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID171983346
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1cccc2c1N(CC#CCN1CCOCC1)C(=O)C21OCCO1
InChIInChI=1S/C19H22N2O4/c1-15-5-4-6-16-17(15)21(18(22)19(16)24-13-14-25-19)8-3-2-7-20-9-11-23-12-10-20/h4-6H,7-14H2,1H3
InChIKeyRNWOHFJOKYYYFA-UHFFFAOYSA-N
XLogP0.88
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 171983346) is 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1cccc2c1N(CC#CCN1CCOCC1)C(=O)C21OCCO1.
What is the InChIKey of 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is RNWOHFJOKYYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-15-5-4-6-16-17(15)21(18(22)19(16)24-13-14-25-19)8-3-2-7-20-9-11-23-12-10-20/h4-6H,7-14H2,1H3.
What are the key properties of 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 342.40 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methyl-1'-(4-morpholin-4-ylbut-2-ynyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 171983346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).