1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole

C13H23N — CID 89280130

IUPAC1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole
SMILESCc1c(C)c(C(C)C)n(C)c1C(C)C
InChIInChI=1S/C13H23N/c1-8(2)12-10(5)11(6)13(9(3)4)14(12)7/h8-9H,1-7H3
InChIKeyMCBCTVNRQDATIH-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.89
Rot. Bonds2

About 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole

1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole (PubChem CID 89280130) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole
PubChem CID89280130
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole
SMILESCc1c(C)c(C(C)C)n(C)c1C(C)C
InChIInChI=1S/C13H23N/c1-8(2)12-10(5)11(6)13(9(3)4)14(12)7/h8-9H,1-7H3
InChIKeyMCBCTVNRQDATIH-UHFFFAOYSA-N
XLogP3.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,4-trimethyl-2,5-di(propan-2-yl)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 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole?
The IUPAC name of 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole (CID 89280130) is 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole.
What is the SMILES notation for 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole?
The canonical SMILES for 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole is Cc1c(C)c(C(C)C)n(C)c1C(C)C.
What is the InChIKey of 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole?
The InChIKey is MCBCTVNRQDATIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-8(2)12-10(5)11(6)13(9(3)4)14(12)7/h8-9H,1-7H3.
What are the key properties of 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole?
1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole is sourced from PubChem (CID 89280130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).