1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole

C9H17N — CID 126707341

IUPAC1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)C1C=CC(C)N1C
InChIInChI=1S/C9H17N/c1-7(2)9-6-5-8(3)10(9)4/h5-9H,1-4H3
InChIKeyIKDIFCWTBUZNEO-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds1

About 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole

1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole (PubChem CID 126707341) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole
PubChem CID126707341
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)C1C=CC(C)N1C
InChIInChI=1S/C9H17N/c1-7(2)9-6-5-8(3)10(9)4/h5-9H,1-4H3
InChIKeyIKDIFCWTBUZNEO-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole 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 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole?
The IUPAC name of 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole (CID 126707341) is 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole?
The canonical SMILES for 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole is CC(C)C1C=CC(C)N1C.
What is the InChIKey of 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole?
The InChIKey is IKDIFCWTBUZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-6-5-8(3)10(9)4/h5-9H,1-4H3.
What are the key properties of 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole?
1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propan-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 126707341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).