4,5-dimethyl-2,3-dihydro-1H-pyrrole

C6H11N — CID 21129173

IUPAC4,5-dimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=C(C)NCC1
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h7H,3-4H2,1-2H3
InChIKeyQWXUDYZXJKDYFG-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.27
Rot. Bonds

About 4,5-dimethyl-2,3-dihydro-1H-pyrrole

4,5-dimethyl-2,3-dihydro-1H-pyrrole (PubChem CID 21129173) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1H-pyrrole
PubChem CID21129173
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4,5-dimethyl-2,3-dihydro-1H-pyrrole
SMILESCC1=C(C)NCC1
InChIInChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h7H,3-4H2,1-2H3
InChIKeyQWXUDYZXJKDYFG-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-2,3-dihydro-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyrrole (CID 21129173) is 4,5-dimethyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1H-pyrrole is CC1=C(C)NCC1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1H-pyrrole?
The InChIKey is QWXUDYZXJKDYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-4-7-6(5)2/h7H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1H-pyrrole?
4,5-dimethyl-2,3-dihydro-1H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 21129173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).