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

C24H27NO4 — CID 46870461

IUPAC1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cccc(C(O)c2ccc3c(c2)C2(OCCCO2)C(=O)N3CC2CC2)c1C
InChIInChI=1S/C24H27NO4/c1-15-5-3-6-19(16(15)2)22(26)18-9-10-21-20(13-18)24(28-11-4-12-29-24)23(27)25(21)14-17-7-8-17/h3,5-6,9-10,13,17,22,26H,4,7-8,11-12,14H2,1-2H3
InChIKeyONISUUDDNFSVDM-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.73
Rot. Bonds4

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

1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46870461) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46870461
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cccc(C(O)c2ccc3c(c2)C2(OCCCO2)C(=O)N3CC2CC2)c1C
InChIInChI=1S/C24H27NO4/c1-15-5-3-6-19(16(15)2)22(26)18-9-10-21-20(13-18)24(28-11-4-12-29-24)23(27)25(21)14-17-7-8-17/h3,5-6,9-10,13,17,22,26H,4,7-8,11-12,14H2,1-2H3
InChIKeyONISUUDDNFSVDM-UHFFFAOYSA-N
XLogP3.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46870461) is 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1cccc(C(O)c2ccc3c(c2)C2(OCCCO2)C(=O)N3CC2CC2)c1C.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is ONISUUDDNFSVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-15-5-3-6-19(16(15)2)22(26)18-9-10-21-20(13-18)24(28-11-4-12-29-24)23(27)25(21)14-17-7-8-17/h3,5-6,9-10,13,17,22,26H,4,7-8,11-12,14H2,1-2H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 393.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-[(2,3-dimethylphenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46870461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).