(3Z)-3-(1-phenylethylidene)-1H-indol-2-one

C16H13NO — CID 12761441

IUPAC(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
SMILESC/C(=C1/C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-16(15)18/h2-10H,1H3,(H,17,18)/b15-11-
InChIKeyXEOXRIFPLVRRAS-PTNGSMBKSA-N
MW235.29 g/mol
LogP3.57
Rot. Bonds1

About (3Z)-3-(1-phenylethylidene)-1H-indol-2-one

(3Z)-3-(1-phenylethylidene)-1H-indol-2-one (PubChem CID 12761441) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (3Z)-3-(1-phenylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
PubChem CID12761441
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
SMILESC/C(=C1/C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-16(15)18/h2-10H,1H3,(H,17,18)/b15-11-
InChIKeyXEOXRIFPLVRRAS-PTNGSMBKSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-phenylethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(1-phenylethylidene)-1H-indol-2-one (CID 12761441) is (3Z)-3-(1-phenylethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(1-phenylethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(1-phenylethylidene)-1H-indol-2-one is C/C(=C1/C(=O)Nc2ccccc21)c1ccccc1.
What is the InChIKey of (3Z)-3-(1-phenylethylidene)-1H-indol-2-one?
The InChIKey is XEOXRIFPLVRRAS-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-16(15)18/h2-10H,1H3,(H,17,18)/b15-11-.
What are the key properties of (3Z)-3-(1-phenylethylidene)-1H-indol-2-one?
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one has a molecular weight of 235.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-phenylethylidene)-1H-indol-2-one is sourced from PubChem (CID 12761441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).