2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile

C10H10BrNOS — CID 130585614

IUPAC2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile
SMILESN#CCC1CCC(c2cscc2Br)O1
InChIInChI=1S/C10H10BrNOS/c11-9-6-14-5-8(9)10-2-1-7(13-10)3-4-12/h5-7,10H,1-3H2
InChIKeyCUTIHYVWNYOEDF-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.64
Rot. Bonds2

About 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile

2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile (PubChem CID 130585614) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile
PubChem CID130585614
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile
SMILESN#CCC1CCC(c2cscc2Br)O1
InChIInChI=1S/C10H10BrNOS/c11-9-6-14-5-8(9)10-2-1-7(13-10)3-4-12/h5-7,10H,1-3H2
InChIKeyCUTIHYVWNYOEDF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-thiophen-2-yl)-tetrahydro-furan-3-carbonitrile
CID 18446513
2-[2-(4-Bromothiophen-2-yl)oxolan-3-yl]acetonitrile
CID 142892255
2-Thiophen-3-yloxolane-3-carbonitrile
CID 64436217
2-(3-Bromothiophen-2-yl)oxolane-3-carbonitrile
CID 115381431
(2S,3S)-2-(4-bromothiophen-2-yl)oxolane-3-carbonitrile
CID 124488475
(2R,3S)-2-(4-bromothiophen-2-yl)oxolane-3-carbonitrile
CID 124488476
(2S,3R)-2-(4-bromothiophen-2-yl)oxolane-3-carbonitrile
CID 124488477
(2R,3R)-2-(4-bromothiophen-2-yl)oxolane-3-carbonitrile
CID 124488478
2-(4-Bromothiophen-3-yl)oxane-3-carbonitrile
CID 130525050
2-(Bromomethyl)-5-(4-bromothiophen-3-yl)oxolane
CID 130582424
2-(Bromomethyl)-5-(5-bromothiophen-3-yl)oxolane
CID 130582441
[5-(4-Bromothiophen-3-yl)oxolan-2-yl]methanamine
CID 130583645

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile?
The IUPAC name of 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile (CID 130585614) is 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile is N#CCC1CCC(c2cscc2Br)O1.
What is the InChIKey of 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile?
The InChIKey is CUTIHYVWNYOEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-9-6-14-5-8(9)10-2-1-7(13-10)3-4-12/h5-7,10H,1-3H2.
What are the key properties of 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile?
2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile has a molecular weight of 272.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile is sourced from PubChem (CID 130585614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).