(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

C17H19N3 — CID 145180859

IUPAC(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCCC1=C(C)/C(=C/c2ccc(C)[nH]2)N=C1c1ccc[nH]1
InChIInChI=1S/C17H19N3/c1-4-14-12(3)16(10-13-8-7-11(2)19-13)20-17(14)15-6-5-9-18-15/h5-10,18-19H,4H2,1-3H3/b16-10-
InChIKeyNYWKWBOOCMMNST-YBEGLDIGSA-N
MW265.36 g/mol
LogP4.22
Rot. Bonds3

About (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 145180859) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID145180859
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCCC1=C(C)/C(=C/c2ccc(C)[nH]2)N=C1c1ccc[nH]1
InChIInChI=1S/C17H19N3/c1-4-14-12(3)16(10-13-8-7-11(2)19-13)20-17(14)15-6-5-9-18-15/h5-10,18-19H,4H2,1-3H3/b16-10-
InChIKeyNYWKWBOOCMMNST-YBEGLDIGSA-N
XLogP4.22
TPSA43.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole with MolForge

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Related Compounds

3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
CID 135740410
(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180858
(2Z)-4-ethyl-2-[[3-[(4-fluorophenyl)methyl]-5-heptyl-1H-pyrrol-2-yl]methylidene]-3-methyl-5-(1H-pyrrol-2-yl)pyrrole
CID 137053687
(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180865
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135544020
(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135802867
2-ethyl-5-(1H-pyrrol-2-yl)pyrazine
CID 160769784
(2Z)-2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135704039
2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136834293
2-ethyl-5-(1H-pyrrol-2-yl)pyridine
CID 138502463
[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
CID 96630256

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (CID 145180859) is (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is CCC1=C(C)/C(=C/c2ccc(C)[nH]2)N=C1c1ccc[nH]1.
What is the InChIKey of (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is NYWKWBOOCMMNST-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-14-12(3)16(10-13-8-7-11(2)19-13)20-17(14)15-6-5-9-18-15/h5-10,18-19H,4H2,1-3H3/b16-10-.
What are the key properties of (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 265.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 145180859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).