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

C18H18N2O — CID 11673546

IUPAC(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole
SMILESCOC1=CC(c2ccccc2)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C18H18N2O/c1-12-9-13(2)19-15(12)10-17-18(21-3)11-16(20-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3/b17-10-
InChIKeyFUGZIRFEUIGXBX-YVLHZVERSA-N
MW278.36 g/mol
LogP4.01
Rot. Bonds3

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

(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole (PubChem CID 11673546) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole
PubChem CID11673546
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole
SMILESCOC1=CC(c2ccccc2)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C18H18N2O/c1-12-9-13(2)19-15(12)10-17-18(21-3)11-16(20-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3/b17-10-
InChIKeyFUGZIRFEUIGXBX-YVLHZVERSA-N
XLogP4.01
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-Bipyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-
CID 135408511
Obatoclax mesylate
CID 16681698
Obatoclax
CID 11404337
Metacycloprodigiosin
CID 135475665
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole
CID 57353643
Prodigiosine
CID 135455579
2-Methyl-5-phenyl-1H-pyrrole
CID 200981
(2E)-2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 11244031
2-[(5E)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole
CID 40637217
2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole
CID 66751253
(2Z)-2-[[3-[(4-fluorophenyl)methyl]-5-hexyl-1H-pyrrol-2-yl]methylene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136025827
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135410849

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole?
The IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole (CID 11673546) is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole.
What is the SMILES notation for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole?
The canonical SMILES for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole is COC1=CC(c2ccccc2)=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-phenylpyrrole?
The InChIKey is FUGZIRFEUIGXBX-YVLHZVERSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-9-13(2)19-15(12)10-17-18(21-3)11-16(20-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3/b17-10-.
What are the key properties of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole?
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-phenylpyrrole has a molecular weight of 278.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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-phenylpyrrole is sourced from PubChem (CID 11673546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).