methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate

C16H17NO4 — CID 101467252

IUPACmethyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate
SMILESCOC(=O)/C=C1/C(C)=C(OCc2ccccc2)C(=O)N1C
InChIInChI=1S/C16H17NO4/c1-11-13(9-14(18)20-3)17(2)16(19)15(11)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/b13-9-
InChIKeyUYWFVXNKXKYYKQ-LCYFTJDESA-N
MW287.31 g/mol
LogP2.01
Rot. Bonds4

About methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate

methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate (PubChem CID 101467252) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate
PubChem CID101467252
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namemethyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate
SMILESCOC(=O)/C=C1/C(C)=C(OCc2ccccc2)C(=O)N1C
InChIInChI=1S/C16H17NO4/c1-11-13(9-14(18)20-3)17(2)16(19)15(11)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/b13-9-
InChIKeyUYWFVXNKXKYYKQ-LCYFTJDESA-N
XLogP2.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate 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

benzyl N-butyl-N-[(5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)methyl]carbamate
CID 44142256
1-benzyl 2-methyl 4,5-dihydro-1H-pyrrole-1,2-dicarboxylate
CID 51002583
Benzyl 2-{[(tert-butoxy)carbonyl](methyl)amino}prop-2-enoate
CID 129987110
Ethyl 5-oxo-4-phenylmethoxy-1,2-dihydropyrrole-3-carboxylate
CID 127038194
6-(4-Methylphenyl)-4-morpholin-4-ylpyran-2-one
CID 85566259
2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-4-(phenylmethoxy)-
CID 11344716
Benzyl (S)-2-(tert-butyl)-4-methylene-5-oxooxazolidine-3-carboxylate
CID 11426269
Ethyl 3-(benzyloxy)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 12089327
Ethyl 1,2-dimethyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 22594884
3-Benzyloxy-4-ethoxycarbonyl-6-methyl-1-tert-butyloxycarbonylmethyl-2-pyridinone
CID 23000159
3-Benzyloxy-1-carboxymethyl-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 90156305
3-Benzyloxy-1-carboxymethyl-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester
CID 122441506

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate (CID 101467252) is methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate is COC(=O)/C=C1/C(C)=C(OCc2ccccc2)C(=O)N1C.
What is the InChIKey of methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate?
The InChIKey is UYWFVXNKXKYYKQ-LCYFTJDESA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-13(9-14(18)20-3)17(2)16(19)15(11)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3/b13-9-.
What are the key properties of methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate?
methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate has a molecular weight of 287.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(1,3-dimethyl-5-oxo-4-phenylmethoxypyrrol-2-ylidene)acetate is sourced from PubChem (CID 101467252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).