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

C17H19N3 — CID 135740410

IUPAC3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
SMILESCCC1=C(C)C(=Cc2ccc(-c3ccc[nH]3)[nH]2)N=C1C
InChIInChI=1S/C17H19N3/c1-4-14-11(2)17(19-12(14)3)10-13-7-8-16(20-13)15-6-5-9-18-15/h5-10,18,20H,4H2,1-3H3
InChIKeyOPOLRUYNDXHANH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.55
Rot. Bonds3

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

3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole (PubChem CID 135740410) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
PubChem CID135740410
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole
SMILESCCC1=C(C)C(=Cc2ccc(-c3ccc[nH]3)[nH]2)N=C1C
InChIInChI=1S/C17H19N3/c1-4-14-11(2)17(19-12(14)3)10-13-7-8-16(20-13)15-6-5-9-18-15/h5-10,18,20H,4H2,1-3H3
InChIKeyOPOLRUYNDXHANH-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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Related Compounds

(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180859
(2Z)-4-ethyl-3-methyl-2-[(5-octyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180858
(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180865
(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)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[2-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]ethyl]-3,5-dimethylpyrrole
CID 177388577
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
benzyl 4-ethyl-5-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 177499435
5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2-methyl-3-pentylpyrrole
CID 176947264
(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-(3-methyl-5-propylphenyl)-1H-pyrrole
CID 146359377

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole?
The IUPAC name of 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole (CID 135740410) is 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole?
The canonical SMILES for 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole is CCC1=C(C)C(=Cc2ccc(-c3ccc[nH]3)[nH]2)N=C1C.
What is the InChIKey of 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole?
The InChIKey is OPOLRUYNDXHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-14-11(2)17(19-12(14)3)10-13-7-8-16(20-13)15-6-5-9-18-15/h5-10,18,20H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole?
3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole has a molecular weight of 265.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyl-5-[[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]pyrrole is sourced from PubChem (CID 135740410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).