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

C23H23NO4 — CID 46871508

IUPAC1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccccc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H23NO4/c1-15-5-2-3-6-18(15)21(25)17-9-10-20-19(13-17)23(27-11-4-12-28-23)22(26)24(20)14-16-7-8-16/h2-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1H3
InChIKeyHJIRDVCNFQKPNP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.57
Rot. Bonds4

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

1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46871508) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46871508
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1ccccc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H23NO4/c1-15-5-2-3-6-18(15)21(25)17-9-10-20-19(13-17)23(27-11-4-12-28-23)22(26)24(20)14-16-7-8-16/h2-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1H3
InChIKeyHJIRDVCNFQKPNP-UHFFFAOYSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46871508) is 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1ccccc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is HJIRDVCNFQKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-5-2-3-6-18(15)21(25)17-9-10-20-19(13-17)23(27-11-4-12-28-23)22(26)24(20)14-16-7-8-16/h2-3,5-6,9-10,13,16H,4,7-8,11-12,14H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 377.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46871508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).