1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C23H24FNO5 — CID 46870460

IUPAC1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(F)cc1C(O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H24FNO5/c1-28-20-8-6-16(24)12-17(20)21(26)15-5-7-19-18(11-15)23(29-9-2-10-30-23)22(27)25(19)13-14-3-4-14/h5-8,11-12,14,21,26H,2-4,9-10,13H2,1H3
InChIKeyVCAGSKUPWYAPRU-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.26
Rot. Bonds5

About 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46870460) has the molecular formula C23H24FNO5 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46870460
Molecular FormulaC23H24FNO5
Molecular Weight413.45 g/mol
Exact Mass413.16
IUPAC Name1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(F)cc1C(O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H24FNO5/c1-28-20-8-6-16(24)12-17(20)21(26)15-5-7-19-18(11-15)23(29-9-2-10-30-23)22(27)25(19)13-14-3-4-14/h5-8,11-12,14,21,26H,2-4,9-10,13H2,1H3
InChIKeyVCAGSKUPWYAPRU-UHFFFAOYSA-N
XLogP3.26
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46870460) is 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is COc1ccc(F)cc1C(O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is VCAGSKUPWYAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO5/c1-28-20-8-6-16(24)12-17(20)21(26)15-5-7-19-18(11-15)23(29-9-2-10-30-23)22(27)25(19)13-14-3-4-14/h5-8,11-12,14,21,26H,2-4,9-10,13H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 413.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46870460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).