(3Z)-3-benzylidene-6-chloro-1H-indol-2-one

C15H10ClNO — CID 962904

IUPAC(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1
InChIInChI=1S/C15H10ClNO/c16-11-6-7-12-13(15(18)17-14(12)9-11)8-10-4-2-1-3-5-10/h1-9H,(H,17,18)/b13-8-
InChIKeyYIFCXPKLWPWAQV-JYRVWZFOSA-N
MW255.70 g/mol
LogP3.83
Rot. Bonds1

About (3Z)-3-benzylidene-6-chloro-1H-indol-2-one

(3Z)-3-benzylidene-6-chloro-1H-indol-2-one (PubChem CID 962904) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is (3Z)-3-benzylidene-6-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
PubChem CID962904
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1
InChIInChI=1S/C15H10ClNO/c16-11-6-7-12-13(15(18)17-14(12)9-11)8-10-4-2-1-3-5-10/h1-9H,(H,17,18)/b13-8-
InChIKeyYIFCXPKLWPWAQV-JYRVWZFOSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.83
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-benzylidene-6-chloro-1H-indol-2-one?
The IUPAC name of (3Z)-3-benzylidene-6-chloro-1H-indol-2-one (CID 962904) is (3Z)-3-benzylidene-6-chloro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-benzylidene-6-chloro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-benzylidene-6-chloro-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1.
What is the InChIKey of (3Z)-3-benzylidene-6-chloro-1H-indol-2-one?
The InChIKey is YIFCXPKLWPWAQV-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-11-6-7-12-13(15(18)17-14(12)9-11)8-10-4-2-1-3-5-10/h1-9H,(H,17,18)/b13-8-.
What are the key properties of (3Z)-3-benzylidene-6-chloro-1H-indol-2-one?
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one has a molecular weight of 255.70 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-6-chloro-1H-indol-2-one is sourced from PubChem (CID 962904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).