2,3,3-trimethylpyrrole

C7H11N — CID 20643067

IUPAC2,3,3-trimethylpyrrole
SMILESCC1=NC=CC1(C)C
InChIInChI=1S/C7H11N/c1-6-7(2,3)4-5-8-6/h4-5H,1-3H3
InChIKeyCHPNQPFNCPBFDU-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds

About 2,3,3-trimethylpyrrole

2,3,3-trimethylpyrrole (PubChem CID 20643067) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,3,3-trimethylpyrrole.

Molecular Properties

Compound Name2,3,3-trimethylpyrrole
PubChem CID20643067
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,3,3-trimethylpyrrole
SMILESCC1=NC=CC1(C)C
InChIInChI=1S/C7H11N/c1-6-7(2,3)4-5-8-6/h4-5H,1-3H3
InChIKeyCHPNQPFNCPBFDU-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 2,3,3-trimethylpyrrole?
The IUPAC name of 2,3,3-trimethylpyrrole (CID 20643067) is 2,3,3-trimethylpyrrole.
What is the SMILES notation for 2,3,3-trimethylpyrrole?
The canonical SMILES for 2,3,3-trimethylpyrrole is CC1=NC=CC1(C)C.
What is the InChIKey of 2,3,3-trimethylpyrrole?
The InChIKey is CHPNQPFNCPBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-7(2,3)4-5-8-6/h4-5H,1-3H3.
What are the key properties of 2,3,3-trimethylpyrrole?
2,3,3-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 2,3,3-trimethylpyrrole is sourced from PubChem (CID 20643067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).