4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole

C11H21N — CID 118672528

IUPAC4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
SMILESCC1=CNC(C(C)C)C1C(C)C
InChIInChI=1S/C11H21N/c1-7(2)10-9(5)6-12-11(10)8(3)4/h6-8,10-12H,1-5H3
InChIKeyMHORDIOODKNZBK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.79
Rot. Bonds2

About 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole

4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole (PubChem CID 118672528) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
PubChem CID118672528
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
SMILESCC1=CNC(C(C)C)C1C(C)C
InChIInChI=1S/C11H21N/c1-7(2)10-9(5)6-12-11(10)8(3)4/h6-8,10-12H,1-5H3
InChIKeyMHORDIOODKNZBK-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2,3-di(propan-2-yl)-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-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole (CID 118672528) is 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole is CC1=CNC(C(C)C)C1C(C)C.
What is the InChIKey of 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole?
The InChIKey is MHORDIOODKNZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-7(2)10-9(5)6-12-11(10)8(3)4/h6-8,10-12H,1-5H3.
What are the key properties of 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole?
4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 118672528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).