(1-bromonaphthalen-2-yl) azetidine-1-carboxylate

C14H12BrNO2 — CID 70691018

IUPAC(1-bromonaphthalen-2-yl) azetidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1Br)N1CCC1
InChIInChI=1S/C14H12BrNO2/c15-13-11-5-2-1-4-10(11)6-7-12(13)18-14(17)16-8-3-9-16/h1-2,4-7H,3,8-9H2
InChIKeyOHYXLZXIFWCFIZ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.81
Rot. Bonds1

About (1-bromonaphthalen-2-yl) azetidine-1-carboxylate

(1-bromonaphthalen-2-yl) azetidine-1-carboxylate (PubChem CID 70691018) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) azetidine-1-carboxylate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) azetidine-1-carboxylate
PubChem CID70691018
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name(1-bromonaphthalen-2-yl) azetidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1Br)N1CCC1
InChIInChI=1S/C14H12BrNO2/c15-13-11-5-2-1-4-10(11)6-7-12(13)18-14(17)16-8-3-9-16/h1-2,4-7H,3,8-9H2
InChIKeyOHYXLZXIFWCFIZ-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) azetidine-1-carboxylate?
The IUPAC name of (1-bromonaphthalen-2-yl) azetidine-1-carboxylate (CID 70691018) is (1-bromonaphthalen-2-yl) azetidine-1-carboxylate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) azetidine-1-carboxylate?
The canonical SMILES for (1-bromonaphthalen-2-yl) azetidine-1-carboxylate is O=C(Oc1ccc2ccccc2c1Br)N1CCC1.
What is the InChIKey of (1-bromonaphthalen-2-yl) azetidine-1-carboxylate?
The InChIKey is OHYXLZXIFWCFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-13-11-5-2-1-4-10(11)6-7-12(13)18-14(17)16-8-3-9-16/h1-2,4-7H,3,8-9H2.
What are the key properties of (1-bromonaphthalen-2-yl) azetidine-1-carboxylate?
(1-bromonaphthalen-2-yl) azetidine-1-carboxylate has a molecular weight of 306.16 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl) azetidine-1-carboxylate is sourced from PubChem (CID 70691018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).