4-chloro-3-phenacylidene-1H-indol-2-one

C16H10ClNO2 — CID 67957581

IUPAC4-chloro-3-phenacylidene-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2C1=CC(=O)c1ccccc1
InChIInChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20)
InChIKeyOESOKCNFLBVONS-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.56
Rot. Bonds2

About 4-chloro-3-phenacylidene-1H-indol-2-one

4-chloro-3-phenacylidene-1H-indol-2-one (PubChem CID 67957581) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-chloro-3-phenacylidene-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-phenacylidene-1H-indol-2-one
PubChem CID67957581
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name4-chloro-3-phenacylidene-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2C1=CC(=O)c1ccccc1
InChIInChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20)
InChIKeyOESOKCNFLBVONS-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.56
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 4-chloro-3-phenacylidene-1H-indol-2-one?
The IUPAC name of 4-chloro-3-phenacylidene-1H-indol-2-one (CID 67957581) is 4-chloro-3-phenacylidene-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-phenacylidene-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-phenacylidene-1H-indol-2-one is O=C1Nc2cccc(Cl)c2C1=CC(=O)c1ccccc1.
What is the InChIKey of 4-chloro-3-phenacylidene-1H-indol-2-one?
The InChIKey is OESOKCNFLBVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-12-7-4-8-13-15(12)11(16(20)18-13)9-14(19)10-5-2-1-3-6-10/h1-9H,(H,18,20).
What are the key properties of 4-chloro-3-phenacylidene-1H-indol-2-one?
4-chloro-3-phenacylidene-1H-indol-2-one has a molecular weight of 283.71 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenacylidene-1H-indol-2-one is sourced from PubChem (CID 67957581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).