3,3,4-trimethylpyrrole

C7H11N — CID 141285243

IUPAC3,3,4-trimethylpyrrole
SMILESCC1=CN=CC1(C)C
InChIInChI=1S/C7H11N/c1-6-4-8-5-7(6,2)3/h4-5H,1-3H3
InChIKeyRDVRKFMPHDDDNV-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds

About 3,3,4-trimethylpyrrole

3,3,4-trimethylpyrrole (PubChem CID 141285243) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3,3,4-trimethylpyrrole.

Molecular Properties

Compound Name3,3,4-trimethylpyrrole
PubChem CID141285243
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3,3,4-trimethylpyrrole
SMILESCC1=CN=CC1(C)C
InChIInChI=1S/C7H11N/c1-6-4-8-5-7(6,2)3/h4-5H,1-3H3
InChIKeyRDVRKFMPHDDDNV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethylpyrrole?
The IUPAC name of 3,3,4-trimethylpyrrole (CID 141285243) is 3,3,4-trimethylpyrrole.
What is the SMILES notation for 3,3,4-trimethylpyrrole?
The canonical SMILES for 3,3,4-trimethylpyrrole is CC1=CN=CC1(C)C.
What is the InChIKey of 3,3,4-trimethylpyrrole?
The InChIKey is RDVRKFMPHDDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-8-5-7(6,2)3/h4-5H,1-3H3.
What are the key properties of 3,3,4-trimethylpyrrole?
3,3,4-trimethylpyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylpyrrole is sourced from PubChem (CID 141285243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).