2-(2-methylidenebutyl)-1-propylpyrrolidine

C12H23N — CID 155306390

IUPAC2-(2-methylidenebutyl)-1-propylpyrrolidine
SMILESC=C(CC)CC1CCCN1CCC
InChIInChI=1S/C12H23N/c1-4-8-13-9-6-7-12(13)10-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyFYAJYFARRADZBH-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-methylidenebutyl)-1-propylpyrrolidine

2-(2-methylidenebutyl)-1-propylpyrrolidine (PubChem CID 155306390) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-(2-methylidenebutyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name2-(2-methylidenebutyl)-1-propylpyrrolidine
PubChem CID155306390
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-(2-methylidenebutyl)-1-propylpyrrolidine
SMILESC=C(CC)CC1CCCN1CCC
InChIInChI=1S/C12H23N/c1-4-8-13-9-6-7-12(13)10-11(3)5-2/h12H,3-10H2,1-2H3
InChIKeyFYAJYFARRADZBH-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
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-methylidenebutyl)-1-propylpyrrolidine?
The IUPAC name of 2-(2-methylidenebutyl)-1-propylpyrrolidine (CID 155306390) is 2-(2-methylidenebutyl)-1-propylpyrrolidine.
What is the SMILES notation for 2-(2-methylidenebutyl)-1-propylpyrrolidine?
The canonical SMILES for 2-(2-methylidenebutyl)-1-propylpyrrolidine is C=C(CC)CC1CCCN1CCC.
What is the InChIKey of 2-(2-methylidenebutyl)-1-propylpyrrolidine?
The InChIKey is FYAJYFARRADZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-8-13-9-6-7-12(13)10-11(3)5-2/h12H,3-10H2,1-2H3.
What are the key properties of 2-(2-methylidenebutyl)-1-propylpyrrolidine?
2-(2-methylidenebutyl)-1-propylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutyl)-1-propylpyrrolidine is sourced from PubChem (CID 155306390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).