1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine

C11H19N — CID 142836451

IUPAC1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine
SMILESC=C(C)C1(CN2CCCC2)CC1
InChIInChI=1S/C11H19N/c1-10(2)11(5-6-11)9-12-7-3-4-8-12/h1,3-9H2,2H3
InChIKeyUYFYTKMPKCGACC-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds3

About 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine

1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine (PubChem CID 142836451) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine
PubChem CID142836451
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine
SMILESC=C(C)C1(CN2CCCC2)CC1
InChIInChI=1S/C11H19N/c1-10(2)11(5-6-11)9-12-7-3-4-8-12/h1,3-9H2,2H3
InChIKeyUYFYTKMPKCGACC-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
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 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine?
The IUPAC name of 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine (CID 142836451) is 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine is C=C(C)C1(CN2CCCC2)CC1.
What is the InChIKey of 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine?
The InChIKey is UYFYTKMPKCGACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)11(5-6-11)9-12-7-3-4-8-12/h1,3-9H2,2H3.
What are the key properties of 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine?
1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-prop-1-en-2-ylcyclopropyl)methyl]pyrrolidine is sourced from PubChem (CID 142836451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).