3,4,5-trimethyl-2H-pyrrole

C7H11N — CID 12554796

IUPAC3,4,5-trimethyl-2H-pyrrole
SMILESCC1=NCC(C)=C1C
InChIInChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4H2,1-3H3
InChIKeySBZCAIZSQLIFHC-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About 3,4,5-trimethyl-2H-pyrrole

3,4,5-trimethyl-2H-pyrrole (PubChem CID 12554796) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3,4,5-trimethyl-2H-pyrrole.

Molecular Properties

Compound Name3,4,5-trimethyl-2H-pyrrole
PubChem CID12554796
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3,4,5-trimethyl-2H-pyrrole
SMILESCC1=NCC(C)=C1C
InChIInChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4H2,1-3H3
InChIKeySBZCAIZSQLIFHC-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2H-pyrrole?
The IUPAC name of 3,4,5-trimethyl-2H-pyrrole (CID 12554796) is 3,4,5-trimethyl-2H-pyrrole.
What is the SMILES notation for 3,4,5-trimethyl-2H-pyrrole?
The canonical SMILES for 3,4,5-trimethyl-2H-pyrrole is CC1=NCC(C)=C1C.
What is the InChIKey of 3,4,5-trimethyl-2H-pyrrole?
The InChIKey is SBZCAIZSQLIFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4H2,1-3H3.
What are the key properties of 3,4,5-trimethyl-2H-pyrrole?
3,4,5-trimethyl-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2H-pyrrole is sourced from PubChem (CID 12554796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).