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

C11H10BrNO — CID 10956023

IUPAC(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO/c12-9-4-3-7-1-2-8(5-11(13)14)10(7)6-9/h3-6H,1-2H2,(H2,13,14)/b8-5+
InChIKeyCCYUBTBZGXLMCO-VMPITWQZSA-N
MW252.11 g/mol
LogP2.26
Rot. Bonds1

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

(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10956023) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10956023
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO/c12-9-4-3-7-1-2-8(5-11(13)14)10(7)6-9/h3-6H,1-2H2,(H2,13,14)/b8-5+
InChIKeyCCYUBTBZGXLMCO-VMPITWQZSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.26
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-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide (CID 10956023) is (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2ccc(Br)cc21.
What is the InChIKey of (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is CCYUBTBZGXLMCO-VMPITWQZSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-9-4-3-7-1-2-8(5-11(13)14)10(7)6-9/h3-6H,1-2H2,(H2,13,14)/b8-5+.
What are the key properties of (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 252.11 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10956023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).