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

C23H24FNO4 — CID 91222420

IUPAC1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(F)cc1Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H24FNO4/c1-27-21-8-6-18(24)13-17(21)11-16-5-7-20-19(12-16)23(28-9-2-10-29-23)22(26)25(20)14-15-3-4-15/h5-8,12-13,15H,2-4,9-11,14H2,1H3
InChIKeyLWIZHZKWRCGPRJ-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.77
Rot. Bonds5

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

1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 91222420) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID91222420
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(F)cc1Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H24FNO4/c1-27-21-8-6-18(24)13-17(21)11-16-5-7-20-19(12-16)23(28-9-2-10-29-23)22(26)25(20)14-15-3-4-15/h5-8,12-13,15H,2-4,9-11,14H2,1H3
InChIKeyLWIZHZKWRCGPRJ-UHFFFAOYSA-N
XLogP3.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

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Related Compounds

1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
1'-allyl-5'-butylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9177725
1'-(2-ethoxybenzyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 9177767
N-(2-methoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetamide
CID 3237347
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-(2-fluorophenoxy)ethanone
CID 3405078
1'-[(2-Fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 4609329
methyl (E)-3-[1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[1,3-dioxolane-2,3'-indole]-5'-yl]prop-2-enoate
CID 73212597
5'-(4-Methoxyphenyl)-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 145979148
1'-(2-Phenoxyethyl)-1',2'-dihydrospiro([1,3]dioxane-2,3'-indole)-2'-one
CID 2985371
1'-(4-Methoxybenzyl)-1',2'-dihydrospiro([1,3]dioxane-2,3'-indole)-2'-one
CID 2988892
N-(4-Ethoxyphenyl)-2-{2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-YL}acetamide
CID 5115291
5'-Methyl-1'-phenethylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 2989151

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 91222420) is 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is COc1ccc(F)cc1Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is LWIZHZKWRCGPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-27-21-8-6-18(24)13-17(21)11-16-5-7-20-19(12-16)23(28-9-2-10-29-23)22(26)25(20)14-15-3-4-15/h5-8,12-13,15H,2-4,9-11,14H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 397.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 91222420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).