(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one

C15H14FNO — CID 6164315

IUPAC(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/C1CC=CCC1
InChIInChI=1S/C15H14FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h1-2,6-10H,3-5H2,(H,17,18)/b13-8-
InChIKeyCQADCWZLGLWWFQ-JYRVWZFOSA-N
MW243.28 g/mol
LogP3.52
Rot. Bonds1

About (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one

(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one (PubChem CID 6164315) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one
PubChem CID6164315
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/C1CC=CCC1
InChIInChI=1S/C15H14FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h1-2,6-10H,3-5H2,(H,17,18)/b13-8-
InChIKeyCQADCWZLGLWWFQ-JYRVWZFOSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-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)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one (CID 6164315) is (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C/C1CC=CCC1.
What is the InChIKey of (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is CQADCWZLGLWWFQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H14FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h1-2,6-10H,3-5H2,(H,17,18)/b13-8-.
What are the key properties of (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one?
(3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 243.28 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(cyclohex-3-en-1-ylmethylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 6164315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).