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

C12H13NO — CID 10867084

IUPAC(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide
SMILESCc1ccc2c(c1)/C(=C/C(N)=O)CC2
InChIInChI=1S/C12H13NO/c1-8-2-3-9-4-5-10(7-12(13)14)11(9)6-8/h2-3,6-7H,4-5H2,1H3,(H2,13,14)/b10-7+
InChIKeyUSCSYWJEOWDLKI-JXMROGBWSA-N
MW187.24 g/mol
LogP1.81
Rot. Bonds1

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

(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10867084) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10867084
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide
SMILESCc1ccc2c(c1)/C(=C/C(N)=O)CC2
InChIInChI=1S/C12H13NO/c1-8-2-3-9-4-5-10(7-12(13)14)11(9)6-8/h2-3,6-7H,4-5H2,1H3,(H2,13,14)/b10-7+
InChIKeyUSCSYWJEOWDLKI-JXMROGBWSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.81
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-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide (CID 10867084) is (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide is Cc1ccc2c(c1)/C(=C/C(N)=O)CC2.
What is the InChIKey of (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is USCSYWJEOWDLKI-JXMROGBWSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-2-3-9-4-5-10(7-12(13)14)11(9)6-8/h2-3,6-7H,4-5H2,1H3,(H2,13,14)/b10-7+.
What are the key properties of (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 187.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10867084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).