ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate

C14H14N2O3 — CID 135498075

IUPACethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)/C(=C/c2cccnc2)N=C1C
InChIInChI=1S/C14H14N2O3/c1-3-19-14(18)12-9(2)16-11(13(12)17)7-10-5-4-6-15-8-10/h4-8,17H,3H2,1-2H3/b11-7-
InChIKeyFFMNJOIOAGKFDW-XFFZJAGNSA-N
MW258.28 g/mol
LogP2.27
Rot. Bonds3

About ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate

ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate (PubChem CID 135498075) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate
PubChem CID135498075
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)/C(=C/c2cccnc2)N=C1C
InChIInChI=1S/C14H14N2O3/c1-3-19-14(18)12-9(2)16-11(13(12)17)7-10-5-4-6-15-8-10/h4-8,17H,3H2,1-2H3/b11-7-
InChIKeyFFMNJOIOAGKFDW-XFFZJAGNSA-N
XLogP2.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(4-chlorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135516968
ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135545596
ethyl (5E)-4-hydroxy-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2-methylpyrrole-3-carboxylate
CID 135432692
ethyl 4-hydroxy-2-(4-methylphenyl)imino-5-(pyridin-3-ylmethylidene)thiophene-3-carboxylate
CID 135453561
ethyl 4-hydroxy-2-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)thiophene-3-carboxylate
CID 135445854
ethyl (5Z)-4-hydroxy-2-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)thiophene-3-carboxylate
CID 135546041
ethyl (5E)-5-[(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 136750483
methyl (5E)-4-hydroxy-2-methyl-5-[(3-prop-2-enoxyphenyl)methylidene]pyrrole-3-carboxylate
CID 135438752
methyl (5Z)-5-[(4-fluorophenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135708694
ethyl 2-(2,4-dichlorophenyl)imino-4-hydroxy-5-(pyridin-3-ylmethylidene)thiophene-3-carboxylate
CID 135530385
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl (5E)-5-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135641280

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate?
The IUPAC name of ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate (CID 135498075) is ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate?
The canonical SMILES for ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate is CCOC(=O)C1=C(O)/C(=C/c2cccnc2)N=C1C.
What is the InChIKey of ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate?
The InChIKey is FFMNJOIOAGKFDW-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-14(18)12-9(2)16-11(13(12)17)7-10-5-4-6-15-8-10/h4-8,17H,3H2,1-2H3/b11-7-.
What are the key properties of ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate?
ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-4-hydroxy-2-methyl-5-(pyridin-3-ylmethylidene)pyrrole-3-carboxylate is sourced from PubChem (CID 135498075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).