(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one

C15H10ClNO — CID 5398219

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
InChIKeyCIXKMQYKNWKSNZ-LCYFTJDESA-N
MW255.70 g/mol
LogP3.83
Rot. Bonds1

About (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one (PubChem CID 5398219) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
PubChem CID5398219
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
InChIKeyCIXKMQYKNWKSNZ-LCYFTJDESA-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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Related Compounds

(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 56989643
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 2357006

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one (CID 5398219) is (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is CIXKMQYKNWKSNZ-LCYFTJDESA-N. The full InChI is InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(4-chlorophenyl)methylidene]-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-[(4-chlorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 5398219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).