(3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione

C22H17NO4 — CID 102143089

IUPAC(3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC#CCN1C(=O)[C@]2(OC(=O)C(=C)[C@H]2c2ccccc2)c2cc(OC)ccc21
InChIInChI=1S/C22H17NO4/c1-4-12-23-18-11-10-16(26-3)13-17(18)22(21(23)25)19(14(2)20(24)27-22)15-8-6-5-7-9-15/h1,5-11,13,19H,2,12H2,3H3/t19-,22-/m0/s1
InChIKeyGAWOZNJQOLQKJN-UGKGYDQZSA-N
MW359.38 g/mol
LogP2.77
Rot. Bonds3

About (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione

(3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 102143089) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID102143089
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name(3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC#CCN1C(=O)[C@]2(OC(=O)C(=C)[C@H]2c2ccccc2)c2cc(OC)ccc21
InChIInChI=1S/C22H17NO4/c1-4-12-23-18-11-10-16(26-3)13-17(18)22(21(23)25)19(14(2)20(24)27-22)15-8-6-5-7-9-15/h1,5-11,13,19H,2,12H2,3H3/t19-,22-/m0/s1
InChIKeyGAWOZNJQOLQKJN-UGKGYDQZSA-N
XLogP2.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione 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 (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione (CID 102143089) is (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione is C#CCN1C(=O)[C@]2(OC(=O)C(=C)[C@H]2c2ccccc2)c2cc(OC)ccc21.
What is the InChIKey of (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is GAWOZNJQOLQKJN-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H17NO4/c1-4-12-23-18-11-10-16(26-3)13-17(18)22(21(23)25)19(14(2)20(24)27-22)15-8-6-5-7-9-15/h1,5-11,13,19H,2,12H2,3H3/t19-,22-/m0/s1.
What are the key properties of (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione?
(3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 359.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'R)-5-methoxy-3'-methylidene-4'-phenyl-1-prop-2-ynylspiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 102143089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).