(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one

C24H17NO3 — CID 102297610

IUPAC(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one
SMILESCN1C(=O)/C(=C2/c3ccccc3C(=O)OC2c2ccccc2)c2ccccc21
InChIInChI=1S/C24H17NO3/c1-25-19-14-8-7-13-18(19)21(23(25)26)20-16-11-5-6-12-17(16)24(27)28-22(20)15-9-3-2-4-10-15/h2-14,22H,1H3/b21-20-
InChIKeyUAJVMPRCJHJNQZ-MRCUWXFGSA-N
MW367.40 g/mol
LogP4.49
Rot. Bonds1

About (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one

(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one (PubChem CID 102297610) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one
PubChem CID102297610
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one
SMILESCN1C(=O)/C(=C2/c3ccccc3C(=O)OC2c2ccccc2)c2ccccc21
InChIInChI=1S/C24H17NO3/c1-25-19-14-8-7-13-18(19)21(23(25)26)20-16-11-5-6-12-17(16)24(27)28-22(20)15-9-3-2-4-10-15/h2-14,22H,1H3/b21-20-
InChIKeyUAJVMPRCJHJNQZ-MRCUWXFGSA-N
XLogP4.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-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 (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one (CID 102297610) is (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one is CN1C(=O)/C(=C2/c3ccccc3C(=O)OC2c2ccccc2)c2ccccc21.
What is the InChIKey of (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one?
The InChIKey is UAJVMPRCJHJNQZ-MRCUWXFGSA-N. The full InChI is InChI=1S/C24H17NO3/c1-25-19-14-8-7-13-18(19)21(23(25)26)20-16-11-5-6-12-17(16)24(27)28-22(20)15-9-3-2-4-10-15/h2-14,22H,1H3/b21-20-.
What are the key properties of (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one?
(3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one has a molecular weight of 367.40 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(1-oxo-3-phenylisochromen-4-ylidene)indol-2-one is sourced from PubChem (CID 102297610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).