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

C11H11NO — CID 10986759

IUPAC(2E)-2-(2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2ccccc21
InChIInChI=1S/C11H11NO/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,7H,5-6H2,(H2,12,13)/b9-7+
InChIKeyLFYXPROOUKWVTO-VQHVLOKHSA-N
MW173.22 g/mol
LogP1.50
Rot. Bonds1

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

(2E)-2-(2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10986759) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10986759
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(2E)-2-(2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1\CCc2ccccc21
InChIInChI=1S/C11H11NO/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,7H,5-6H2,(H2,12,13)/b9-7+
InChIKeyLFYXPROOUKWVTO-VQHVLOKHSA-N
XLogP1.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.50
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-(2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide (CID 10986759) is (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1\CCc2ccccc21.
What is the InChIKey of (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is LFYXPROOUKWVTO-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H11NO/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,7H,5-6H2,(H2,12,13)/b9-7+.
What are the key properties of (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 173.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10986759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).