(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide

C11H9Cl2NO — CID 10911696

IUPAC(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H9Cl2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
InChIKeySYAJJMQOXYOIRW-ZZXKWVIFSA-N
MW242.10 g/mol
LogP2.81
Rot. Bonds1

About (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10911696) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10911696
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H9Cl2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
InChIKeySYAJJMQOXYOIRW-ZZXKWVIFSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide (CID 10911696) is (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is SYAJJMQOXYOIRW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+.
What are the key properties of (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 242.10 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10911696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).