1,3-dimethylpyrrole

C6H9N — CID 10964417

IUPAC1,3-dimethylpyrrole
SMILESCc1ccn(C)c1
InChIInChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3-5H,1-2H3
InChIKeyCTWQGTOWGFCWNW-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.33
Rot. Bonds

About 1,3-dimethylpyrrole

1,3-dimethylpyrrole (PubChem CID 10964417) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1,3-dimethylpyrrole.

Molecular Properties

Compound Name1,3-dimethylpyrrole
PubChem CID10964417
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name1,3-dimethylpyrrole
SMILESCc1ccn(C)c1
InChIInChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3-5H,1-2H3
InChIKeyCTWQGTOWGFCWNW-UHFFFAOYSA-N
XLogP1.33
TPSA4.93 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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrole?
The IUPAC name of 1,3-dimethylpyrrole (CID 10964417) is 1,3-dimethylpyrrole.
What is the SMILES notation for 1,3-dimethylpyrrole?
The canonical SMILES for 1,3-dimethylpyrrole is Cc1ccn(C)c1.
What is the InChIKey of 1,3-dimethylpyrrole?
The InChIKey is CTWQGTOWGFCWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3-5H,1-2H3.
What are the key properties of 1,3-dimethylpyrrole?
1,3-dimethylpyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrole is sourced from PubChem (CID 10964417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).