methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate

C17H22N2O2 — CID 11667758

IUPACmethyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate
SMILESCOC(=O)CCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C
InChIInChI=1S/C17H22N2O2/c1-10-8-11(2)18-15(10)9-16-12(3)14(13(4)19-16)6-7-17(20)21-5/h8-9,18H,6-7H2,1-5H3/b16-9-
InChIKeyGUWITLKVFKRFAL-SXGWCWSVSA-N
MW286.38 g/mol
LogP3.72
Rot. Bonds4

About methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate

methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate (PubChem CID 11667758) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate
PubChem CID11667758
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate
SMILESCOC(=O)CCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C
InChIInChI=1S/C17H22N2O2/c1-10-8-11(2)18-15(10)9-16-12(3)14(13(4)19-16)6-7-17(20)21-5/h8-9,18H,6-7H2,1-5H3/b16-9-
InChIKeyGUWITLKVFKRFAL-SXGWCWSVSA-N
XLogP3.72
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate 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

methyl 3-[(5Z)-5-[(3,4-dimethyl-5-(113C)methyl-1H-pyrrol-2-yl)methylidene]-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3,4,5-trimethylpyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoate
CID 138962847
methyl 3-[(2Z)-2-[[5-[[5-[(Z)-(5-bromo-3-ethyl-4-methylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4,5-dimethylpyrrol-3-yl]propanoate
CID 164672975
methyl 5-[2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-yl]-2,3-dihydro-1H-indol-3-yl]-5-oxopentanoate
CID 71068439
methyl 3-[(5Z)-5-[[(5Z)-5-[[5-[(Z)-[3-(2-cyanoethyl)-2,4,4-trimethyl-3H-pyrrol-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methylidene]-2-methoxy-4-methylpyrrol-3-yl]propanoate
CID 134869725
methyl 3-[(2Z)-5-[[(5E)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methyl]-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 46222496
methyl 3-(5-formyl-2-methyl-1H-pyrrol-3-yl)propanoate
CID 14409956
3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
CID 177403983
methyl 3-[8-(2,2-difluoroethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
CID 15432408
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
CID 15297627
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
methyl 3-[(5Z)-5-[(5-amino-4-ethenyl-3-methylfuran-2-yl)methylidene]-2-[(Z)-[5-iodo-3-(3-methoxy-3-oxopropyl)-4-methylpyrrol-2-ylidene]methyl]-4-methylpyrrol-3-yl]propanoate
CID 10841325

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate?
The IUPAC name of methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate (CID 11667758) is methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate?
The canonical SMILES for methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate is COC(=O)CCC1=C(C)/C(=C/c2[nH]c(C)cc2C)N=C1C.
What is the InChIKey of methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate?
The InChIKey is GUWITLKVFKRFAL-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-8-11(2)18-15(10)9-16-12(3)14(13(4)19-16)6-7-17(20)21-5/h8-9,18H,6-7H2,1-5H3/b16-9-.
What are the key properties of methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate?
methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate has a molecular weight of 286.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate is sourced from PubChem (CID 11667758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).