1,3-dimethyl-2,5-dihydropyrrole

C6H11N — CID 15092989

IUPAC1,3-dimethyl-2,5-dihydropyrrole
SMILESCC1=CCN(C)C1
InChIInChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h3H,4-5H2,1-2H3
InChIKeyYUQZPJCNEVZTTD-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.88
Rot. Bonds

About 1,3-dimethyl-2,5-dihydropyrrole

1,3-dimethyl-2,5-dihydropyrrole (PubChem CID 15092989) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1,3-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1,3-dimethyl-2,5-dihydropyrrole
PubChem CID15092989
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1,3-dimethyl-2,5-dihydropyrrole
SMILESCC1=CCN(C)C1
InChIInChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h3H,4-5H2,1-2H3
InChIKeyYUQZPJCNEVZTTD-UHFFFAOYSA-N
XLogP0.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 1,3-dimethyl-2,5-dihydropyrrole (CID 15092989) is 1,3-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 1,3-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 1,3-dimethyl-2,5-dihydropyrrole is CC1=CCN(C)C1.
What is the InChIKey of 1,3-dimethyl-2,5-dihydropyrrole?
The InChIKey is YUQZPJCNEVZTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-4-7(2)5-6/h3H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,5-dihydropyrrole?
1,3-dimethyl-2,5-dihydropyrrole has a molecular weight of 97.16 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 15092989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).