5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole

C11H17N — CID 159522187

IUPAC5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole
SMILESC=C(C)C(C)(C)CC1=CCC=N1
InChIInChI=1S/C11H17N/c1-9(2)11(3,4)8-10-6-5-7-12-10/h6-7H,1,5,8H2,2-4H3
InChIKeySYIPVSNBKWANEZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.34
Rot. Bonds3

About 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole

5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole (PubChem CID 159522187) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole.

Molecular Properties

Compound Name5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole
PubChem CID159522187
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole
SMILESC=C(C)C(C)(C)CC1=CCC=N1
InChIInChI=1S/C11H17N/c1-9(2)11(3,4)8-10-6-5-7-12-10/h6-7H,1,5,8H2,2-4H3
InChIKeySYIPVSNBKWANEZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-dimethylpropyl)-3H-pyrrole
CID 57638668
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-(3-methylbutyl)-3H-pyrrole
CID 58324839
5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole
CID 58398282
5-(3,3-dimethylbutyl)-3H-pyrrole
CID 58543330
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
5-[(3-methylcyclopent-2-en-1-yl)methyl]-3H-pyrrole
CID 59152625
2-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
5-(2-methylpentan-3-yl)-3H-pyrrole
CID 89727930
3-Ethyl-3,5-dimethyl-7-pentan-3-ylazepine
CID 90861129
3,3,5-Trimethyl-7-(2-methylbutyl)azepine
CID 90980602
(4,4-Diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium
CID 123464092

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole?
The IUPAC name of 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole (CID 159522187) is 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole.
What is the SMILES notation for 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole?
The canonical SMILES for 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole is C=C(C)C(C)(C)CC1=CCC=N1.
What is the InChIKey of 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole?
The InChIKey is SYIPVSNBKWANEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)11(3,4)8-10-6-5-7-12-10/h6-7H,1,5,8H2,2-4H3.
What are the key properties of 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole?
5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole is sourced from PubChem (CID 159522187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).