(3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one

C17H14ClNO2 — CID 13339546

IUPAC(3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one
SMILESCCO/C=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H14ClNO2/c1-2-21-11-15-14-8-3-4-9-16(14)19(17(15)20)13-7-5-6-12(18)10-13/h3-11H,2H2,1H3/b15-11-
InChIKeyCBNOPNCYKCLUJV-PTNGSMBKSA-N
MW299.76 g/mol
LogP4.40
Rot. Bonds3

About (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one

(3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one (PubChem CID 13339546) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one
PubChem CID13339546
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one
SMILESCCO/C=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H14ClNO2/c1-2-21-11-15-14-8-3-4-9-16(14)19(17(15)20)13-7-5-6-12(18)10-13/h3-11H,2H2,1H3/b15-11-
InChIKeyCBNOPNCYKCLUJV-PTNGSMBKSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one?
The IUPAC name of (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one (CID 13339546) is (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one is CCO/C=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one?
The InChIKey is CBNOPNCYKCLUJV-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-21-11-15-14-8-3-4-9-16(14)19(17(15)20)13-7-5-6-12(18)10-13/h3-11H,2H2,1H3/b15-11-.
What are the key properties of (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one?
(3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one has a molecular weight of 299.76 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(3-chlorophenyl)-3-(ethoxymethylidene)indol-2-one is sourced from PubChem (CID 13339546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).