4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C22H23NO4 — CID 9177951

IUPAC4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCOc1ccccc1CN1C(=O)C2(OCCO2)c2c(C)ccc(C)c21
InChIInChI=1S/C22H23NO4/c1-4-11-25-18-8-6-5-7-17(18)14-23-20-16(3)10-9-15(2)19(20)22(21(23)24)26-12-13-27-22/h4-10H,1,11-14H2,2-3H3
InChIKeyVBORUDMCAQDQSU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.61
Rot. Bonds5

About 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9177951) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9177951
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESC=CCOc1ccccc1CN1C(=O)C2(OCCO2)c2c(C)ccc(C)c21
InChIInChI=1S/C22H23NO4/c1-4-11-25-18-8-6-5-7-17(18)14-23-20-16(3)10-9-15(2)19(20)22(21(23)24)26-12-13-27-22/h4-10H,1,11-14H2,2-3H3
InChIKeyVBORUDMCAQDQSU-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9177951) is 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is C=CCOc1ccccc1CN1C(=O)C2(OCCO2)c2c(C)ccc(C)c21.
What is the InChIKey of 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is VBORUDMCAQDQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-11-25-18-8-6-5-7-17(18)14-23-20-16(3)10-9-15(2)19(20)22(21(23)24)26-12-13-27-22/h4-10H,1,11-14H2,2-3H3.
What are the key properties of 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 365.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).