(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide

C11H10FNO — CID 10954366

IUPAC(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2cc(F)ccc21
InChIInChI=1S/C11H10FNO/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-6H,1-2H2,(H2,13,14)/b8-6+
InChIKeyKDLBURVEPJIKOY-SOFGYWHQSA-N
MW191.20 g/mol
LogP1.64
Rot. Bonds1

About (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10954366) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10954366
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2cc(F)ccc21
InChIInChI=1S/C11H10FNO/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-6H,1-2H2,(H2,13,14)/b8-6+
InChIKeyKDLBURVEPJIKOY-SOFGYWHQSA-N
XLogP1.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.64
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-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 10954366) is (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2cc(F)ccc21.
What is the InChIKey of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is KDLBURVEPJIKOY-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H10FNO/c12-9-3-4-10-7(5-9)1-2-8(10)6-11(13)14/h3-6H,1-2H2,(H2,13,14)/b8-6+.
What are the key properties of (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 191.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10954366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).