1-(6-bromonaphthalen-2-yl)pyrrolidine

C14H14BrN — CID 19887843

IUPAC1-(6-bromonaphthalen-2-yl)pyrrolidine
SMILESBrc1ccc2cc(N3CCCC3)ccc2c1
InChIInChI=1S/C14H14BrN/c15-13-5-3-12-10-14(6-4-11(12)9-13)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2
InChIKeyWQUXFSPPIJBXOU-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.20
Rot. Bonds1

About 1-(6-bromonaphthalen-2-yl)pyrrolidine

1-(6-bromonaphthalen-2-yl)pyrrolidine (PubChem CID 19887843) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)pyrrolidine
PubChem CID19887843
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name1-(6-bromonaphthalen-2-yl)pyrrolidine
SMILESBrc1ccc2cc(N3CCCC3)ccc2c1
InChIInChI=1S/C14H14BrN/c15-13-5-3-12-10-14(6-4-11(12)9-13)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2
InChIKeyWQUXFSPPIJBXOU-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)pyrrolidine (CID 19887843) is 1-(6-bromonaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)pyrrolidine is Brc1ccc2cc(N3CCCC3)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)pyrrolidine?
The InChIKey is WQUXFSPPIJBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-13-5-3-12-10-14(6-4-11(12)9-13)16-7-1-2-8-16/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)pyrrolidine?
1-(6-bromonaphthalen-2-yl)pyrrolidine has a molecular weight of 276.18 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 19887843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).