2-(2-methylprop-1-enyl)-1-propylpyrrolidine

C11H21N — CID 13181245

IUPAC2-(2-methylprop-1-enyl)-1-propylpyrrolidine
SMILESCCCN1CCCC1C=C(C)C
InChIInChI=1S/C11H21N/c1-4-7-12-8-5-6-11(12)9-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGCJVPZHGMGMHCO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-methylprop-1-enyl)-1-propylpyrrolidine

2-(2-methylprop-1-enyl)-1-propylpyrrolidine (PubChem CID 13181245) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-1-propylpyrrolidine
PubChem CID13181245
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(2-methylprop-1-enyl)-1-propylpyrrolidine
SMILESCCCN1CCCC1C=C(C)C
InChIInChI=1S/C11H21N/c1-4-7-12-8-5-6-11(12)9-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGCJVPZHGMGMHCO-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
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)-1-propylpyrrolidine?
The IUPAC name of 2-(2-methylprop-1-enyl)-1-propylpyrrolidine (CID 13181245) is 2-(2-methylprop-1-enyl)-1-propylpyrrolidine.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-1-propylpyrrolidine?
The canonical SMILES for 2-(2-methylprop-1-enyl)-1-propylpyrrolidine is CCCN1CCCC1C=C(C)C.
What is the InChIKey of 2-(2-methylprop-1-enyl)-1-propylpyrrolidine?
The InChIKey is GCJVPZHGMGMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-12-8-5-6-11(12)9-10(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(2-methylprop-1-enyl)-1-propylpyrrolidine?
2-(2-methylprop-1-enyl)-1-propylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-1-propylpyrrolidine is sourced from PubChem (CID 13181245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).