3-propylpyrrolidine

C7H15N — CID 12648198

IUPAC3-propylpyrrolidine
SMILESCCCC1CCNC1
InChIInChI=1S/C7H15N/c1-2-3-7-4-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyRKFKEXKTXWGBCN-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.40
Rot. Bonds2

About 3-propylpyrrolidine

3-propylpyrrolidine (PubChem CID 12648198) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3-propylpyrrolidine.

Molecular Properties

Compound Name3-propylpyrrolidine
PubChem CID12648198
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3-propylpyrrolidine
SMILESCCCC1CCNC1
InChIInChI=1S/C7H15N/c1-2-3-7-4-5-8-6-7/h7-8H,2-6H2,1H3
InChIKeyRKFKEXKTXWGBCN-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propylpyrrolidine?
The IUPAC name of 3-propylpyrrolidine (CID 12648198) is 3-propylpyrrolidine.
What is the SMILES notation for 3-propylpyrrolidine?
The canonical SMILES for 3-propylpyrrolidine is CCCC1CCNC1.
What is the InChIKey of 3-propylpyrrolidine?
The InChIKey is RKFKEXKTXWGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-7-4-5-8-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-propylpyrrolidine?
3-propylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpyrrolidine is sourced from PubChem (CID 12648198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).