1-propylpyrrolidine

C7H15N — CID 522490

IUPAC1-propylpyrrolidine
SMILESCCCN1CCCC1
InChIInChI=1S/C7H15N/c1-2-5-8-6-3-4-7-8/h2-7H2,1H3
InChIKeyHLNRRPIYRBBHSQ-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.49
Rot. Bonds2

About 1-propylpyrrolidine

1-propylpyrrolidine (PubChem CID 522490) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 1-propylpyrrolidine.

Molecular Properties

Compound Name1-propylpyrrolidine
PubChem CID522490
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name1-propylpyrrolidine
SMILESCCCN1CCCC1
InChIInChI=1S/C7H15N/c1-2-5-8-6-3-4-7-8/h2-7H2,1H3
InChIKeyHLNRRPIYRBBHSQ-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propylpyrrolidine?
The IUPAC name of 1-propylpyrrolidine (CID 522490) is 1-propylpyrrolidine.
What is the SMILES notation for 1-propylpyrrolidine?
The canonical SMILES for 1-propylpyrrolidine is CCCN1CCCC1.
What is the InChIKey of 1-propylpyrrolidine?
The InChIKey is HLNRRPIYRBBHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-2-5-8-6-3-4-7-8/h2-7H2,1H3.
What are the key properties of 1-propylpyrrolidine?
1-propylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrolidine is sourced from PubChem (CID 522490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).