2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole

C17H19N3O — CID 161010792

IUPAC2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole
SMILESCOc1cc(-c2ccc[nH]2)[nH]c1C(C)=C1N=C(C)C=C1C
InChIInChI=1S/C17H19N3O/c1-10-8-11(2)19-16(10)12(3)17-15(21-4)9-14(20-17)13-6-5-7-18-13/h5-9,18,20H,1-4H3
InChIKeyLZOCFNWQTXIWPI-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.17
Rot. Bonds3

About 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole

2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole (PubChem CID 161010792) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole.

Molecular Properties

Compound Name2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole
PubChem CID161010792
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole
SMILESCOc1cc(-c2ccc[nH]2)[nH]c1C(C)=C1N=C(C)C=C1C
InChIInChI=1S/C17H19N3O/c1-10-8-11(2)19-16(10)12(3)17-15(21-4)9-14(20-17)13-6-5-7-18-13/h5-9,18,20H,1-4H3
InChIKeyLZOCFNWQTXIWPI-UHFFFAOYSA-N
XLogP4.17
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole with MolForge

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Related Compounds

Prodigiosin
CID 172897611
(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135762094
BE 18591
CID 197340
tambjamine K
CID 135934866
2-[(E)-2-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethenyl]-1,3,3-trimethylindol-1-ium iodide
CID 155546865
(10E)-4-methoxy-7,23,24-triazatricyclo[18.2.1.12,5]tetracosa-1(22),2,4,6,10,20-hexaene;hydrochloride
CID 166625349
N-but-3-enyl-1-[5-(5-dec-9-enyl-1H-pyrrol-2-yl)-3-methoxy-1H-pyrrol-2-yl]methanimine;hydrochloride
CID 166627721
Tambjamine I
CID 381030
3-Methoxy-1H-indole
CID 13736886
(3Z)-3-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]indole
CID 44408122
1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
CID 135908130
(2Z)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135934867

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole?
The IUPAC name of 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole (CID 161010792) is 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole.
What is the SMILES notation for 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole?
The canonical SMILES for 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole is COc1cc(-c2ccc[nH]2)[nH]c1C(C)=C1N=C(C)C=C1C.
What is the InChIKey of 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole?
The InChIKey is LZOCFNWQTXIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-8-11(2)19-16(10)12(3)17-15(21-4)9-14(20-17)13-6-5-7-18-13/h5-9,18,20H,1-4H3.
What are the key properties of 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole?
2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole has a molecular weight of 281.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]ethylidene]-3,5-dimethylpyrrole is sourced from PubChem (CID 161010792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).