(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole

C16H16N2O2 — CID 11514543

IUPAC(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole
SMILESCOC1=CC(c2ccco2)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C16H16N2O2/c1-10-7-11(2)17-12(10)8-13-16(19-3)9-14(18-13)15-5-4-6-20-15/h4-9,17H,1-3H3/b13-8-
InChIKeyCUENRYSCWFNZMF-JYRVWZFOSA-N
MW268.32 g/mol
LogP3.60
Rot. Bonds3

About (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole

(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole (PubChem CID 11514543) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole
PubChem CID11514543
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole
SMILESCOC1=CC(c2ccco2)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C16H16N2O2/c1-10-7-11(2)17-12(10)8-13-16(19-3)9-14(18-13)15-5-4-6-20-15/h4-9,17H,1-3H3/b13-8-
InChIKeyCUENRYSCWFNZMF-JYRVWZFOSA-N
XLogP3.60
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole?
The IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole (CID 11514543) is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole.
What is the SMILES notation for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole?
The canonical SMILES for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole is COC1=CC(c2ccco2)=N/C1=C\c1[nH]c(C)cc1C.
What is the InChIKey of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole?
The InChIKey is CUENRYSCWFNZMF-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-7-11(2)17-12(10)8-13-16(19-3)9-14(18-13)15-5-4-6-20-15/h4-9,17H,1-3H3/b13-8-.
What are the key properties of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole?
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole has a molecular weight of 268.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(furan-2-yl)-3-methoxypyrrole is sourced from PubChem (CID 11514543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).