azepan-1-yl-(5-bromofuran-2-yl)methanone

C11H14BrNO2 — CID 750410

IUPACazepan-1-yl-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCCCC1
InChIInChI=1S/C11H14BrNO2/c12-10-6-5-9(15-10)11(14)13-7-3-1-2-4-8-13/h5-6H,1-4,7-8H2
InChIKeyVCVWSBRWHMVXMC-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.06
Rot. Bonds1

About azepan-1-yl-(5-bromofuran-2-yl)methanone

azepan-1-yl-(5-bromofuran-2-yl)methanone (PubChem CID 750410) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is azepan-1-yl-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-bromofuran-2-yl)methanone
PubChem CID750410
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameazepan-1-yl-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCCCC1
InChIInChI=1S/C11H14BrNO2/c12-10-6-5-9(15-10)11(14)13-7-3-1-2-4-8-13/h5-6H,1-4,7-8H2
InChIKeyVCVWSBRWHMVXMC-UHFFFAOYSA-N
XLogP3.06
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62060856
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308791
(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292373
(5-bromofuran-2-yl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545693
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
CID 108545866
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
3-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543314

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-bromofuran-2-yl)methanone?
The IUPAC name of azepan-1-yl-(5-bromofuran-2-yl)methanone (CID 750410) is azepan-1-yl-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-bromofuran-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-bromofuran-2-yl)methanone is O=C(c1ccc(Br)o1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(5-bromofuran-2-yl)methanone?
The InChIKey is VCVWSBRWHMVXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-6-5-9(15-10)11(14)13-7-3-1-2-4-8-13/h5-6H,1-4,7-8H2.
What are the key properties of azepan-1-yl-(5-bromofuran-2-yl)methanone?
azepan-1-yl-(5-bromofuran-2-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 750410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).