1-naphthalen-2-ylpyrrolidine

C14H15N — CID 588139

IUPAC1-naphthalen-2-ylpyrrolidine
SMILESc1ccc2cc(N3CCCC3)ccc2c1
InChIInChI=1S/C14H15N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-8,11H,3-4,9-10H2
InChIKeyLMMLREAOKVIBSO-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.44
Rot. Bonds1

About 1-naphthalen-2-ylpyrrolidine

1-naphthalen-2-ylpyrrolidine (PubChem CID 588139) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-naphthalen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-naphthalen-2-ylpyrrolidine
PubChem CID588139
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1-naphthalen-2-ylpyrrolidine
SMILESc1ccc2cc(N3CCCC3)ccc2c1
InChIInChI=1S/C14H15N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-8,11H,3-4,9-10H2
InChIKeyLMMLREAOKVIBSO-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylpyrrolidine?
The IUPAC name of 1-naphthalen-2-ylpyrrolidine (CID 588139) is 1-naphthalen-2-ylpyrrolidine.
What is the SMILES notation for 1-naphthalen-2-ylpyrrolidine?
The canonical SMILES for 1-naphthalen-2-ylpyrrolidine is c1ccc2cc(N3CCCC3)ccc2c1.
What is the InChIKey of 1-naphthalen-2-ylpyrrolidine?
The InChIKey is LMMLREAOKVIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-naphthalen-2-ylpyrrolidine?
1-naphthalen-2-ylpyrrolidine has a molecular weight of 197.28 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylpyrrolidine is sourced from PubChem (CID 588139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).