2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone

C10H10Br2ClNOS — CID 102844193

IUPAC2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(C(Cl)c1cc(Br)c(Br)s1)N1CCCC1
InChIInChI=1S/C10H10Br2ClNOS/c11-6-5-7(16-9(6)12)8(13)10(15)14-3-1-2-4-14/h5,8H,1-4H2
InChIKeyCAWUESKABBCREW-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.18
Rot. Bonds2

About 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone

2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 102844193) has the molecular formula C10H10Br2ClNOS and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID102844193
Molecular FormulaC10H10Br2ClNOS
Molecular Weight387.52 g/mol
Exact Mass384.85
IUPAC Name2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(C(Cl)c1cc(Br)c(Br)s1)N1CCCC1
InChIInChI=1S/C10H10Br2ClNOS/c11-6-5-7(16-9(6)12)8(13)10(15)14-3-1-2-4-14/h5,8H,1-4H2
InChIKeyCAWUESKABBCREW-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-2-chloro-1-pyrrolidin-1-ylethanone
CID 102844195
2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid
CID 102843185
2-chloro-2-(4,5-dibromothiophen-2-yl)-N,N-diethylacetamide
CID 102844190
2-chloro-2-(3,5-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 62225924
(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
CID 175222168
2-[(4,5-dibromothiophen-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 102837298
2-(4-bromo-2-fluorophenyl)-2-chloro-1-piperidin-1-ylethanone
CID 62224634
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
2-chloro-2-(3,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 55047866
2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
CID 116851326
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone (CID 102844193) is 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone is O=C(C(Cl)c1cc(Br)c(Br)s1)N1CCCC1.
What is the InChIKey of 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is CAWUESKABBCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2ClNOS/c11-6-5-7(16-9(6)12)8(13)10(15)14-3-1-2-4-14/h5,8H,1-4H2.
What are the key properties of 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone?
2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 387.52 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4,5-dibromothiophen-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 102844193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).