4-methyl-2-prop-1-enyl-1-propylpyrrolidine

C11H21N — CID 123532486

IUPAC4-methyl-2-prop-1-enyl-1-propylpyrrolidine
SMILESCC=CC1CC(C)CN1CCC
InChIInChI=1S/C11H21N/c1-4-6-11-8-10(3)9-12(11)7-5-2/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyBVZLTIIKCUVUGQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 4-methyl-2-prop-1-enyl-1-propylpyrrolidine

4-methyl-2-prop-1-enyl-1-propylpyrrolidine (PubChem CID 123532486) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-methyl-2-prop-1-enyl-1-propylpyrrolidine.

Molecular Properties

Compound Name4-methyl-2-prop-1-enyl-1-propylpyrrolidine
PubChem CID123532486
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-methyl-2-prop-1-enyl-1-propylpyrrolidine
SMILESCC=CC1CC(C)CN1CCC
InChIInChI=1S/C11H21N/c1-4-6-11-8-10(3)9-12(11)7-5-2/h4,6,10-11H,5,7-9H2,1-3H3
InChIKeyBVZLTIIKCUVUGQ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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 4-methyl-2-prop-1-enyl-1-propylpyrrolidine?
The IUPAC name of 4-methyl-2-prop-1-enyl-1-propylpyrrolidine (CID 123532486) is 4-methyl-2-prop-1-enyl-1-propylpyrrolidine.
What is the SMILES notation for 4-methyl-2-prop-1-enyl-1-propylpyrrolidine?
The canonical SMILES for 4-methyl-2-prop-1-enyl-1-propylpyrrolidine is CC=CC1CC(C)CN1CCC.
What is the InChIKey of 4-methyl-2-prop-1-enyl-1-propylpyrrolidine?
The InChIKey is BVZLTIIKCUVUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-11-8-10(3)9-12(11)7-5-2/h4,6,10-11H,5,7-9H2,1-3H3.
What are the key properties of 4-methyl-2-prop-1-enyl-1-propylpyrrolidine?
4-methyl-2-prop-1-enyl-1-propylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-1-enyl-1-propylpyrrolidine is sourced from PubChem (CID 123532486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).