1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one

C13H16BrNO — CID 116591315

IUPAC1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2cccc(Br)c2)CCC1
InChIInChI=1S/C13H16BrNO/c14-11-4-1-3-10(7-11)8-12(16)9-13(15)5-2-6-13/h1,3-4,7H,2,5-6,8-9,15H2
InChIKeyFBJIMKZJUMMSAR-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.83
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one

1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one (PubChem CID 116591315) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
PubChem CID116591315
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2cccc(Br)c2)CCC1
InChIInChI=1S/C13H16BrNO/c14-11-4-1-3-10(7-11)8-12(16)9-13(15)5-2-6-13/h1,3-4,7H,2,5-6,8-9,15H2
InChIKeyFBJIMKZJUMMSAR-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105412018
1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103042612
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)acetate
CID 3608673
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567658
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(1-aminocyclobutyl)-5-phenylpentan-2-one
CID 116591176

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one (CID 116591315) is 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one is NC1(CC(=O)Cc2cccc(Br)c2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one?
The InChIKey is FBJIMKZJUMMSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-4-1-3-10(7-11)8-12(16)9-13(15)5-2-6-13/h1,3-4,7H,2,5-6,8-9,15H2.
What are the key properties of 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one?
1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one has a molecular weight of 282.18 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one is sourced from PubChem (CID 116591315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).