5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole

C15H23N — CID 129025353

IUPAC5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
SMILESC=C(CC(C)(C)C)C1CC1C1=NCC(C)=C1
InChIInChI=1S/C15H23N/c1-10-6-14(16-9-10)13-7-12(13)11(2)8-15(3,4)5/h6,12-13H,2,7-9H2,1,3-5H3
InChIKeyKADVXLNZXJBZRP-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.02
Rot. Bonds3

About 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole

5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole (PubChem CID 129025353) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
PubChem CID129025353
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
SMILESC=C(CC(C)(C)C)C1CC1C1=NCC(C)=C1
InChIInChI=1S/C15H23N/c1-10-6-14(16-9-10)13-7-12(13)11(2)8-15(3,4)5/h6,12-13H,2,7-9H2,1,3-5H3
InChIKeyKADVXLNZXJBZRP-UHFFFAOYSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-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 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole?
The IUPAC name of 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole (CID 129025353) is 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole.
What is the SMILES notation for 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole?
The canonical SMILES for 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole is C=C(CC(C)(C)C)C1CC1C1=NCC(C)=C1.
What is the InChIKey of 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole?
The InChIKey is KADVXLNZXJBZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-6-14(16-9-10)13-7-12(13)11(2)8-15(3,4)5/h6,12-13H,2,7-9H2,1,3-5H3.
What are the key properties of 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole?
5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole has a molecular weight of 217.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole is sourced from PubChem (CID 129025353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).