2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile

C10H10BrNOS — CID 142892255

IUPAC2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile
SMILESN#CCC1CCOC1c1cc(Br)cs1
InChIInChI=1S/C10H10BrNOS/c11-8-5-9(14-6-8)10-7(1-3-12)2-4-13-10/h5-7,10H,1-2,4H2
InChIKeyWDCCPYOFKVPMEL-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.50
Rot. Bonds2

About 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile

2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile (PubChem CID 142892255) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile
PubChem CID142892255
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile
SMILESN#CCC1CCOC1c1cc(Br)cs1
InChIInChI=1S/C10H10BrNOS/c11-8-5-9(14-6-8)10-7(1-3-12)2-4-13-10/h5-7,10H,1-2,4H2
InChIKeyWDCCPYOFKVPMEL-UHFFFAOYSA-N
XLogP3.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile (CID 142892255) is 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile is N#CCC1CCOC1c1cc(Br)cs1.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile?
The InChIKey is WDCCPYOFKVPMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-8-5-9(14-6-8)10-7(1-3-12)2-4-13-10/h5-7,10H,1-2,4H2.
What are the key properties of 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile?
2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile has a molecular weight of 272.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)oxolan-3-yl]acetonitrile is sourced from PubChem (CID 142892255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).