1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C22H22FNO3 — CID 46870554

IUPAC1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CC2CC2)c2ccc(Cc3ccccc3F)cc2C12OCCCO2
InChIInChI=1S/C22H22FNO3/c23-19-5-2-1-4-17(19)12-16-8-9-20-18(13-16)22(26-10-3-11-27-22)21(25)24(20)14-15-6-7-15/h1-2,4-5,8-9,13,15H,3,6-7,10-12,14H2
InChIKeyHBICXXGDSOTWBW-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.76
Rot. Bonds4

About 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46870554) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46870554
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CC2CC2)c2ccc(Cc3ccccc3F)cc2C12OCCCO2
InChIInChI=1S/C22H22FNO3/c23-19-5-2-1-4-17(19)12-16-8-9-20-18(13-16)22(26-10-3-11-27-22)21(25)24(20)14-15-6-7-15/h1-2,4-5,8-9,13,15H,3,6-7,10-12,14H2
InChIKeyHBICXXGDSOTWBW-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46870554) is 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CC2CC2)c2ccc(Cc3ccccc3F)cc2C12OCCCO2.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is HBICXXGDSOTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-19-5-2-1-4-17(19)12-16-8-9-20-18(13-16)22(26-10-3-11-27-22)21(25)24(20)14-15-6-7-15/h1-2,4-5,8-9,13,15H,3,6-7,10-12,14H2.
What are the key properties of 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 367.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46870554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).