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

C15H11NO — CID 2297827

IUPAC(2Z)-2-benzylidene-1H-indol-3-one
SMILESO=C1/C(=C/c2ccccc2)Nc2ccccc21
InChIInChI=1S/C15H11NO/c17-15-12-8-4-5-9-13(12)16-14(15)10-11-6-2-1-3-7-11/h1-10,16H/b14-10-
InChIKeyAKFPHXCDBVJHSP-UVTDQMKNSA-N
MW221.26 g/mol
LogP3.34
Rot. Bonds1

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

(2Z)-2-benzylidene-1H-indol-3-one (PubChem CID 2297827) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is (2Z)-2-benzylidene-1H-indol-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-1H-indol-3-one
PubChem CID2297827
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name(2Z)-2-benzylidene-1H-indol-3-one
SMILESO=C1/C(=C/c2ccccc2)Nc2ccccc21
InChIInChI=1S/C15H11NO/c17-15-12-8-4-5-9-13(12)16-14(15)10-11-6-2-1-3-7-11/h1-10,16H/b14-10-
InChIKeyAKFPHXCDBVJHSP-UVTDQMKNSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-1H-indol-3-one?
The IUPAC name of (2Z)-2-benzylidene-1H-indol-3-one (CID 2297827) is (2Z)-2-benzylidene-1H-indol-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-1H-indol-3-one?
The canonical SMILES for (2Z)-2-benzylidene-1H-indol-3-one is O=C1/C(=C/c2ccccc2)Nc2ccccc21.
What is the InChIKey of (2Z)-2-benzylidene-1H-indol-3-one?
The InChIKey is AKFPHXCDBVJHSP-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H11NO/c17-15-12-8-4-5-9-13(12)16-14(15)10-11-6-2-1-3-7-11/h1-10,16H/b14-10-.
What are the key properties of (2Z)-2-benzylidene-1H-indol-3-one?
(2Z)-2-benzylidene-1H-indol-3-one has a molecular weight of 221.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-1H-indol-3-one is sourced from PubChem (CID 2297827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).