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

C13H18BrNO2 — CID 115642379

IUPAC(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H18BrNO2/c1-2-10-6-4-3-5-9-15(10)13(16)11-7-8-12(14)17-11/h7-8,10H,2-6,9H2,1H3
InChIKeyZRPRUAAUEMFIFJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.84
Rot. Bonds2

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

(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone (PubChem CID 115642379) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
PubChem CID115642379
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H18BrNO2/c1-2-10-6-4-3-5-9-15(10)13(16)11-7-8-12(14)17-11/h7-8,10H,2-6,9H2,1H3
InChIKeyZRPRUAAUEMFIFJ-UHFFFAOYSA-N
XLogP3.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549097
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 82344192
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
3-[(2S)-1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 94373903
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 81483336
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
(2-ethylpiperidin-1-yl)-[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methanone
CID 110383835
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone (CID 115642379) is (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone?
The InChIKey is ZRPRUAAUEMFIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-10-6-4-3-5-9-15(10)13(16)11-7-8-12(14)17-11/h7-8,10H,2-6,9H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone?
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone has a molecular weight of 300.20 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 115642379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).