2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine

C11H21N — CID 79177978

IUPAC2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)=CC1(C(C)C)CCCN1
InChIInChI=1S/C11H21N/c1-9(2)8-11(10(3)4)6-5-7-12-11/h8,10,12H,5-7H2,1-4H3
InChIKeyCQIXQKHFVMJODK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds2

About 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine

2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine (PubChem CID 79177978) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine
PubChem CID79177978
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine
SMILESCC(C)=CC1(C(C)C)CCCN1
InChIInChI=1S/C11H21N/c1-9(2)8-11(10(3)4)6-5-7-12-11/h8,10,12H,5-7H2,1-4H3
InChIKeyCQIXQKHFVMJODK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine (CID 79177978) is 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine is CC(C)=CC1(C(C)C)CCCN1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine?
The InChIKey is CQIXQKHFVMJODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)8-11(10(3)4)6-5-7-12-11/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine?
2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 79177978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).