methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate

C12H13NO2 — CID 11063517

IUPACmethyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate
SMILESCOC(=O)/C=C1/CCc2ccccc2N1
InChIInChI=1S/C12H13NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-5,8,13H,6-7H2,1H3/b10-8-
InChIKeyVZJVNDYFYCDXQF-NTMALXAHSA-N
MW203.24 g/mol
LogP2.10
Rot. Bonds1

About methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate

methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate (PubChem CID 11063517) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate
PubChem CID11063517
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate
SMILESCOC(=O)/C=C1/CCc2ccccc2N1
InChIInChI=1S/C12H13NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-5,8,13H,6-7H2,1H3/b10-8-
InChIKeyVZJVNDYFYCDXQF-NTMALXAHSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate (CID 11063517) is methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate is COC(=O)/C=C1/CCc2ccccc2N1.
What is the InChIKey of methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate?
The InChIKey is VZJVNDYFYCDXQF-NTMALXAHSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-12(14)8-10-7-6-9-4-2-3-5-11(9)13-10/h2-5,8,13H,6-7H2,1H3/b10-8-.
What are the key properties of methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate?
methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate has a molecular weight of 203.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate is sourced from PubChem (CID 11063517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).