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

C16H17N3O — CID 135410849

IUPAC(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
SMILESCOC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C16H17N3O/c1-10-7-11(2)18-13(10)8-15-16(20-3)9-14(19-15)12-5-4-6-17-12/h4-9,17-18H,1-3H3/b15-8-
InChIKeyXNMUQGNKYRZDIR-NVNXTCNLSA-N
MW267.33 g/mol
LogP3.33
Rot. Bonds3

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

(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 135410849) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID135410849
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
SMILESCOC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(C)cc1C
InChIInChI=1S/C16H17N3O/c1-10-7-11(2)18-13(10)8-15-16(20-3)9-14(19-15)12-5-4-6-17-12/h4-9,17-18H,1-3H3/b15-8-
InChIKeyXNMUQGNKYRZDIR-NVNXTCNLSA-N
XLogP3.33
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole (CID 135410849) is (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole is COC1=CC(c2ccc[nH]2)=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-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is XNMUQGNKYRZDIR-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-7-11(2)18-13(10)8-15-16(20-3)9-14(19-15)12-5-4-6-17-12/h4-9,17-18H,1-3H3/b15-8-.
What are the key properties of (2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole?
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 267.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 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-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 135410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).