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

C12H13NO2 — CID 10888983

IUPAC(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
SMILESCOc1ccc2c(c1)CC/C2=C\C(N)=O
InChIInChI=1S/C12H13NO2/c1-15-10-4-5-11-8(6-10)2-3-9(11)7-12(13)14/h4-7H,2-3H2,1H3,(H2,13,14)/b9-7+
InChIKeyZMUOMFCRNYEMDX-VQHVLOKHSA-N
MW203.24 g/mol
LogP1.51
Rot. Bonds2

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

(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10888983) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10888983
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
SMILESCOc1ccc2c(c1)CC/C2=C\C(N)=O
InChIInChI=1S/C12H13NO2/c1-15-10-4-5-11-8(6-10)2-3-9(11)7-12(13)14/h4-7H,2-3H2,1H3,(H2,13,14)/b9-7+
InChIKeyZMUOMFCRNYEMDX-VQHVLOKHSA-N
XLogP1.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl acetate
CID 174994017
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)-N,N-dimethylethanamine
CID 176832118
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoic acid
CID 9447278
2-[(2-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 165342146
CID 11210966
CID 11210966
methyl (2E)-2-(5-phenylmethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 59590801
3-[2-(ethoxymethoxy)ethylidene]-6-methoxy-1,2-dihydroindene
CID 91068807
ethyl 2-(7-methoxy-1H-isochromen-4-ylidene)acetate
CID 57084885
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 134848209
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
CID 13275745
[(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 2876981

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide (CID 10888983) is (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide is COc1ccc2c(c1)CC/C2=C\C(N)=O.
What is the InChIKey of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is ZMUOMFCRNYEMDX-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-10-4-5-11-8(6-10)2-3-9(11)7-12(13)14/h4-7H,2-3H2,1H3,(H2,13,14)/b9-7+.
What are the key properties of (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10888983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).