1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one

C10H12BrNOS — CID 116582373

IUPAC1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
SMILESO=C(Cc1sccc1Br)CC1CNC1
InChIInChI=1S/C10H12BrNOS/c11-9-1-2-14-10(9)4-8(13)3-7-5-12-6-7/h1-2,7,12H,3-6H2
InChIKeyIFHIRGGWPIMBKD-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.23
Rot. Bonds4

About 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one

1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one (PubChem CID 116582373) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
PubChem CID116582373
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
SMILESO=C(Cc1sccc1Br)CC1CNC1
InChIInChI=1S/C10H12BrNOS/c11-9-1-2-14-10(9)4-8(13)3-7-5-12-6-7/h1-2,7,12H,3-6H2
InChIKeyIFHIRGGWPIMBKD-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954901
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
1-(azetidin-3-yl)-3-(2-bromo-5-fluorophenyl)propan-2-one
CID 116582254
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
1-(3-bromothiophen-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589550
1-(3-bromothiophen-2-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589848
1-(3-bromothiophen-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 114969770
2-(3-bromothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)ethanone
CID 79995869
1-(3-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092784
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one (CID 116582373) is 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one is O=C(Cc1sccc1Br)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one?
The InChIKey is IFHIRGGWPIMBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-9-1-2-14-10(9)4-8(13)3-7-5-12-6-7/h1-2,7,12H,3-6H2.
What are the key properties of 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one?
1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one has a molecular weight of 274.18 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one is sourced from PubChem (CID 116582373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).