(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole

C21H24N2O4 — CID 11703388

IUPAC(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole
SMILESCOC1=CC(c2ccc(OC)c(OC)c2OC)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C21H24N2O4/c1-12-9-13(2)22-15(12)10-17-19(25-4)11-16(23-17)14-7-8-18(24-3)21(27-6)20(14)26-5/h7-11,22H,1-6H3/b17-10-
InChIKeySOKSBAREEGOQRR-YVLHZVERSA-N
MW368.43 g/mol
LogP4.03
Rot. Bonds6

About (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole

(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole (PubChem CID 11703388) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole
PubChem CID11703388
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole
SMILESCOC1=CC(c2ccc(OC)c(OC)c2OC)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C21H24N2O4/c1-12-9-13(2)22-15(12)10-17-19(25-4)11-16(23-17)14-7-8-18(24-3)21(27-6)20(14)26-5/h7-11,22H,1-6H3/b17-10-
InChIKeySOKSBAREEGOQRR-YVLHZVERSA-N
XLogP4.03
TPSA65.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole?
The IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole (CID 11703388) is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole.
What is the SMILES notation for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole?
The canonical SMILES for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole is COC1=CC(c2ccc(OC)c(OC)c2OC)=N/C1=C\c1[nH]c(C)cc1C.
What is the InChIKey of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole?
The InChIKey is SOKSBAREEGOQRR-YVLHZVERSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12-9-13(2)22-15(12)10-17-19(25-4)11-16(23-17)14-7-8-18(24-3)21(27-6)20(14)26-5/h7-11,22H,1-6H3/b17-10-.
What are the key properties of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole?
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole has a molecular weight of 368.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(2,3,4-trimethoxyphenyl)pyrrole is sourced from PubChem (CID 11703388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).