(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole

C19H18N4O2 — CID 135762094

IUPAC(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCOC1=CC(c2ccc[nH]2)=N/C1=C/c1[nH]c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C19H18N4O2/c1-24-18-10-14(12-5-3-7-20-12)22-16(18)9-17-19(25-2)11-15(23-17)13-6-4-8-21-13/h3-11,20-22H,1-2H3/b17-9+
InChIKeyQEVDCWRFEOZGOP-RQZCQDPDSA-N
MW334.38 g/mol
LogP3.72
Rot. Bonds5

About (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole

(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 135762094) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID135762094
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCOC1=CC(c2ccc[nH]2)=N/C1=C/c1[nH]c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C19H18N4O2/c1-24-18-10-14(12-5-3-7-20-12)22-16(18)9-17-19(25-2)11-15(23-17)13-6-4-8-21-13/h3-11,20-22H,1-2H3/b17-9+
InChIKeyQEVDCWRFEOZGOP-RQZCQDPDSA-N
XLogP3.72
TPSA78.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole (CID 135762094) is (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole is COC1=CC(c2ccc[nH]2)=N/C1=C/c1[nH]c(-c2ccc[nH]2)cc1OC.
What is the InChIKey of (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is QEVDCWRFEOZGOP-RQZCQDPDSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-18-10-14(12-5-3-7-20-12)22-16(18)9-17-19(25-2)11-15(23-17)13-6-4-8-21-13/h3-11,20-22H,1-2H3/b17-9+.
What are the key properties of (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 334.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 135762094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).