1-prop-1-en-2-ylpyrrolidine

C7H13N — CID 12570652

IUPAC1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCCC1
InChIInChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h1,3-6H2,2H3
InChIKeyUETCAKLRGLKALK-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.62
Rot. Bonds1

About 1-prop-1-en-2-ylpyrrolidine

1-prop-1-en-2-ylpyrrolidine (PubChem CID 12570652) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-prop-1-en-2-ylpyrrolidine
PubChem CID12570652
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCCC1
InChIInChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h1,3-6H2,2H3
InChIKeyUETCAKLRGLKALK-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 1-prop-1-en-2-ylpyrrolidine (CID 12570652) is 1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCCC1.
What is the InChIKey of 1-prop-1-en-2-ylpyrrolidine?
The InChIKey is UETCAKLRGLKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)8-5-3-4-6-8/h1,3-6H2,2H3.
What are the key properties of 1-prop-1-en-2-ylpyrrolidine?
1-prop-1-en-2-ylpyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 12570652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).