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

C19H24N2 — CID 90287552

IUPAC2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole
SMILESCC1=C(C)N=C(C2=C(C)C(C)=C(C3=NC(C)=C(C)C3)C2)C1
InChIInChI=1S/C19H24N2/c1-10-7-18(20-14(10)5)16-9-17(13(4)12(16)3)19-8-11(2)15(6)21-19/h7-9H2,1-6H3
InChIKeyJYOCWIDGEGLNSJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.30
Rot. Bonds2

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

2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole (PubChem CID 90287552) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole
PubChem CID90287552
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole
SMILESCC1=C(C)N=C(C2=C(C)C(C)=C(C3=NC(C)=C(C)C3)C2)C1
InChIInChI=1S/C19H24N2/c1-10-7-18(20-14(10)5)16-9-17(13(4)12(16)3)19-8-11(2)15(6)21-19/h7-9H2,1-6H3
InChIKeyJYOCWIDGEGLNSJ-UHFFFAOYSA-N
XLogP5.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole?
The IUPAC name of 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole (CID 90287552) is 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole?
The canonical SMILES for 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole is CC1=C(C)N=C(C2=C(C)C(C)=C(C3=NC(C)=C(C)C3)C2)C1.
What is the InChIKey of 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole?
The InChIKey is JYOCWIDGEGLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-10-7-18(20-14(10)5)16-9-17(13(4)12(16)3)19-8-11(2)15(6)21-19/h7-9H2,1-6H3.
What are the key properties of 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole?
2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole has a molecular weight of 280.41 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 90287552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).