2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole

C12H16N2 — CID 23542589

IUPAC2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
SMILESCC1=C(C)N=C(C2=NC(C)=C(C)C2)C1
InChIInChI=1S/C12H16N2/c1-7-5-11(13-9(7)3)12-6-8(2)10(4)14-12/h5-6H2,1-4H3
InChIKeyTYHZCVDKWXXNPH-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.26
Rot. Bonds1

About 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole

2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole (PubChem CID 23542589) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
PubChem CID23542589
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
SMILESCC1=C(C)N=C(C2=NC(C)=C(C)C2)C1
InChIInChI=1S/C12H16N2/c1-7-5-11(13-9(7)3)12-6-8(2)10(4)14-12/h5-6H2,1-4H3
InChIKeyTYHZCVDKWXXNPH-UHFFFAOYSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
2-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 23558745
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809
4,10-Dimethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 89607099
2,6-Dimethyl-3,4,5,8-tetrahydropyrrolo[3,2-f]indole
CID 89607105
2,7-Dimethyl-1,4,5,8-tetrahydropyrrolo[3,2-e]indole
CID 89607107
4,10-Diethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 89607122
2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole
CID 90287552
ethane;2-methyl-4,5,6,7-tetrahydro-3H-indole
CID 91079441
Ethane;2-methyl-3,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 91101310
ethane;2,4,5-trimethyl-3H-pyrrole
CID 142136082
4-butyl-2,5-dimethyl-3H-pyrrole
CID 145357849

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole?
The IUPAC name of 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole (CID 23542589) is 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole?
The canonical SMILES for 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole is CC1=C(C)N=C(C2=NC(C)=C(C)C2)C1.
What is the InChIKey of 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole?
The InChIKey is TYHZCVDKWXXNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7-5-11(13-9(7)3)12-6-8(2)10(4)14-12/h5-6H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole?
2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole has a molecular weight of 188.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 23542589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).