3,3-dimethylpyrrole;hydrochloride

C6H10ClN — CID 174996377

IUPAC3,3-dimethylpyrrole;hydrochloride
SMILESCC1(C)C=CN=C1.Cl
InChIInChI=1S/C6H9N.ClH/c1-6(2)3-4-7-5-6;/h3-5H,1-2H3;1H
InChIKeyMTGHIQJNOGNMLI-UHFFFAOYSA-N
MW131.61 g/mol
LogP2.03
Rot. Bonds

About 3,3-dimethylpyrrole;hydrochloride

3,3-dimethylpyrrole;hydrochloride (PubChem CID 174996377) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 3,3-dimethylpyrrole;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylpyrrole;hydrochloride
PubChem CID174996377
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name3,3-dimethylpyrrole;hydrochloride
SMILESCC1(C)C=CN=C1.Cl
InChIInChI=1S/C6H9N.ClH/c1-6(2)3-4-7-5-6;/h3-5H,1-2H3;1H
InChIKeyMTGHIQJNOGNMLI-UHFFFAOYSA-N
XLogP2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpyrrole;hydrochloride?
The IUPAC name of 3,3-dimethylpyrrole;hydrochloride (CID 174996377) is 3,3-dimethylpyrrole;hydrochloride.
What is the SMILES notation for 3,3-dimethylpyrrole;hydrochloride?
The canonical SMILES for 3,3-dimethylpyrrole;hydrochloride is CC1(C)C=CN=C1.Cl.
What is the InChIKey of 3,3-dimethylpyrrole;hydrochloride?
The InChIKey is MTGHIQJNOGNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.ClH/c1-6(2)3-4-7-5-6;/h3-5H,1-2H3;1H.
What are the key properties of 3,3-dimethylpyrrole;hydrochloride?
3,3-dimethylpyrrole;hydrochloride has a molecular weight of 131.61 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpyrrole;hydrochloride is sourced from PubChem (CID 174996377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).