2,3-dimethyl-2,5-dihydro-1H-pyrrole

C6H11N — CID 55287377

IUPAC2,3-dimethyl-2,5-dihydro-1H-pyrrole
SMILESCC1=CCNC1C
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h3,6-7H,4H2,1-2H3
InChIKeyPUIQQUSUJBCQMG-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.92
Rot. Bonds

About 2,3-dimethyl-2,5-dihydro-1H-pyrrole

2,3-dimethyl-2,5-dihydro-1H-pyrrole (PubChem CID 55287377) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2,3-dimethyl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2,3-dimethyl-2,5-dihydro-1H-pyrrole
PubChem CID55287377
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2,3-dimethyl-2,5-dihydro-1H-pyrrole
SMILESCC1=CCNC1C
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h3,6-7H,4H2,1-2H3
InChIKeyPUIQQUSUJBCQMG-UHFFFAOYSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
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 2,3-dimethyl-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2,3-dimethyl-2,5-dihydro-1H-pyrrole (CID 55287377) is 2,3-dimethyl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2,3-dimethyl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2,3-dimethyl-2,5-dihydro-1H-pyrrole is CC1=CCNC1C.
What is the InChIKey of 2,3-dimethyl-2,5-dihydro-1H-pyrrole?
The InChIKey is PUIQQUSUJBCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h3,6-7H,4H2,1-2H3.
What are the key properties of 2,3-dimethyl-2,5-dihydro-1H-pyrrole?
2,3-dimethyl-2,5-dihydro-1H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 55287377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).