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

C15H14BrNO2 — CID 971360

IUPAC(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc2cc(Br)ccc2c1)N1CCCC1
InChIInChI=1S/C15H14BrNO2/c16-13-5-3-12-10-14(6-4-11(12)9-13)19-15(18)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2
InChIKeyLTZNUWKUHDMGLH-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.20
Rot. Bonds1

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

(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate (PubChem CID 971360) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
PubChem CID971360
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc2cc(Br)ccc2c1)N1CCCC1
InChIInChI=1S/C15H14BrNO2/c16-13-5-3-12-10-14(6-4-11(12)9-13)19-15(18)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2
InChIKeyLTZNUWKUHDMGLH-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
CID 59825519
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
CID 80979361
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
(3-bromophenyl) 4-oxopiperidine-1-carboxylate
CID 116819231
1-(3-bromophenoxy)carbonylpiperidine-3-carboxylic acid
CID 116819531
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
(4-bromophenyl) azetidine-1-carboperoxoate
CID 168984671
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate (CID 971360) is (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate is O=C(Oc1ccc2cc(Br)ccc2c1)N1CCCC1.
What is the InChIKey of (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate?
The InChIKey is LTZNUWKUHDMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-5-3-12-10-14(6-4-11(12)9-13)19-15(18)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2.
What are the key properties of (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate?
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate has a molecular weight of 320.19 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 971360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).