2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole

C17H24N2O — CID 25199407

IUPAC2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
SMILESCCOc1[nH]c(/C=C2\N=CC(C)=C2C)c(CC)c1CC
InChIInChI=1S/C17H24N2O/c1-6-13-14(7-2)17(20-8-3)19-16(13)9-15-12(5)11(4)10-18-15/h9-10,19H,6-8H2,1-5H3/b15-9-
InChIKeyCMNDIMLUODTKLA-DHDCSXOGSA-N
MW272.39 g/mol
LogP4.30
Rot. Bonds5

About 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole

2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole (PubChem CID 25199407) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
PubChem CID25199407
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
SMILESCCOc1[nH]c(/C=C2\N=CC(C)=C2C)c(CC)c1CC
InChIInChI=1S/C17H24N2O/c1-6-13-14(7-2)17(20-8-3)19-16(13)9-15-12(5)11(4)10-18-15/h9-10,19H,6-8H2,1-5H3/b15-9-
InChIKeyCMNDIMLUODTKLA-DHDCSXOGSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide
CID 131665765
2-ethoxy-3,4-diethyl-5-iodo-1H-pyrrole
CID 11140903
2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
CID 130005479
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one
CID 10529931
(2Z)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 139120696
6-ethoxy-5-fluoro-1H-pyrimidin-2-one
CID 165357975
2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
CID 132760546
2-[(Z)-(3,4-diethylpyrrol-2-ylidene)methyl]-5-[(Z)-[(5Z)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3-ethyl-4-methylpyrrol-2-ylidene]methyl]-4-ethyl-3-methyl-1H-pyrrole
CID 23404508
6-bromo-1-ethoxy-2H-isoquinolin-3-one
CID 138974387
ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
CID 13086384

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole?
The IUPAC name of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole (CID 25199407) is 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole.
What is the SMILES notation for 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole?
The canonical SMILES for 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole is CCOc1[nH]c(/C=C2\N=CC(C)=C2C)c(CC)c1CC.
What is the InChIKey of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole?
The InChIKey is CMNDIMLUODTKLA-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-13-14(7-2)17(20-8-3)19-16(13)9-15-12(5)11(4)10-18-15/h9-10,19H,6-8H2,1-5H3/b15-9-.
What are the key properties of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole?
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole has a molecular weight of 272.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole is sourced from PubChem (CID 25199407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).