2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone

C10H12BrNO2 — CID 116591258

IUPAC2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone
SMILESNC1(CC(=O)c2occc2Br)CCC1
InChIInChI=1S/C10H12BrNO2/c11-7-2-5-14-9(7)8(13)6-10(12)3-1-4-10/h2,5H,1,3-4,6,12H2
InChIKeyFZFNGLZKQKSQSS-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.50
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone

2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone (PubChem CID 116591258) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone
PubChem CID116591258
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone
SMILESNC1(CC(=O)c2occc2Br)CCC1
InChIInChI=1S/C10H12BrNO2/c11-7-2-5-14-9(7)8(13)6-10(12)3-1-4-10/h2,5H,1,3-4,6,12H2
InChIKeyFZFNGLZKQKSQSS-UHFFFAOYSA-N
XLogP2.50
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(3-bromofuran-2-yl)methanone
CID 116600348
1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
3-bromofuran-2-carbonyl bromide
CID 88622824
(3-bromofuran-2-yl)-[1-(diethylamino)cyclopentyl]methanone
CID 79070400
(3-bromofuran-2-yl)-[1-(methylamino)cyclopentyl]methanone
CID 130573801
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
CID 116591276
1-(3-bromofuran-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 116558201
(3-bromofuran-2-yl)-(1-phenylcyclopentyl)methanone
CID 63941252
2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
CID 116591184
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromofuran-2-yl)methanone
CID 116604105

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone (CID 116591258) is 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone is NC1(CC(=O)c2occc2Br)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone?
The InChIKey is FZFNGLZKQKSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-7-2-5-14-9(7)8(13)6-10(12)3-1-4-10/h2,5H,1,3-4,6,12H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone?
2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone has a molecular weight of 258.11 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone is sourced from PubChem (CID 116591258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).