1-naphthalen-1-yl-3-propylpyrrolidine

C17H21N — CID 10376978

IUPAC1-naphthalen-1-yl-3-propylpyrrolidine
SMILESCCCC1CCN(c2cccc3ccccc23)C1
InChIInChI=1S/C17H21N/c1-2-6-14-11-12-18(13-14)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14H,2,6,11-13H2,1H3
InChIKeyJDWLFZCVQYGBSH-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.47
Rot. Bonds3

About 1-naphthalen-1-yl-3-propylpyrrolidine

1-naphthalen-1-yl-3-propylpyrrolidine (PubChem CID 10376978) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-propylpyrrolidine.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-propylpyrrolidine
PubChem CID10376978
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-naphthalen-1-yl-3-propylpyrrolidine
SMILESCCCC1CCN(c2cccc3ccccc23)C1
InChIInChI=1S/C17H21N/c1-2-6-14-11-12-18(13-14)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14H,2,6,11-13H2,1H3
InChIKeyJDWLFZCVQYGBSH-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-propylpyrrolidine?
The IUPAC name of 1-naphthalen-1-yl-3-propylpyrrolidine (CID 10376978) is 1-naphthalen-1-yl-3-propylpyrrolidine.
What is the SMILES notation for 1-naphthalen-1-yl-3-propylpyrrolidine?
The canonical SMILES for 1-naphthalen-1-yl-3-propylpyrrolidine is CCCC1CCN(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-3-propylpyrrolidine?
The InChIKey is JDWLFZCVQYGBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-6-14-11-12-18(13-14)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14H,2,6,11-13H2,1H3.
What are the key properties of 1-naphthalen-1-yl-3-propylpyrrolidine?
1-naphthalen-1-yl-3-propylpyrrolidine has a molecular weight of 239.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-propylpyrrolidine is sourced from PubChem (CID 10376978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).