3,3-dimethylpyrrole

C6H9N — CID 18759231

IUPAC3,3-dimethylpyrrole
SMILESCC1(C)C=CN=C1
InChIInChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-5H,1-2H3
InChIKeyXDUJMTYTEXBSSB-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.61
Rot. Bonds

About 3,3-dimethylpyrrole

3,3-dimethylpyrrole (PubChem CID 18759231) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3,3-dimethylpyrrole.

Molecular Properties

Compound Name3,3-dimethylpyrrole
PubChem CID18759231
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3,3-dimethylpyrrole
SMILESCC1(C)C=CN=C1
InChIInChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-5H,1-2H3
InChIKeyXDUJMTYTEXBSSB-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyrrole?
The IUPAC name of 3,3-dimethylpyrrole (CID 18759231) is 3,3-dimethylpyrrole.
What is the SMILES notation for 3,3-dimethylpyrrole?
The canonical SMILES for 3,3-dimethylpyrrole is CC1(C)C=CN=C1.
What is the InChIKey of 3,3-dimethylpyrrole?
The InChIKey is XDUJMTYTEXBSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-5H,1-2H3.
What are the key properties of 3,3-dimethylpyrrole?
3,3-dimethylpyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrrole is sourced from PubChem (CID 18759231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).