2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile

C12H15NOS — CID 65494698

IUPAC2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COCCc2cccs2)CC1
InChIInChI=1S/C12H15NOS/c13-7-6-12(4-5-12)10-14-8-3-11-2-1-9-15-11/h1-2,9H,3-6,8,10H2
InChIKeyCXRQLKXJQKEMLY-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile

2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile (PubChem CID 65494698) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
PubChem CID65494698
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COCCc2cccs2)CC1
InChIInChI=1S/C12H15NOS/c13-7-6-12(4-5-12)10-14-8-3-11-2-1-9-15-11/h1-2,9H,3-6,8,10H2
InChIKeyCXRQLKXJQKEMLY-UHFFFAOYSA-N
XLogP3.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetic acid
CID 65497413
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494867
2-[1-(thiophen-2-ylmethoxymethyl)cyclopropyl]ethanamine
CID 65495835
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
2-thiophen-2-ylethoxysilane
CID 154346669
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
CID 107115192
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]thiophene
CID 65007480
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile (CID 65494698) is 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile is N#CCC1(COCCc2cccs2)CC1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile?
The InChIKey is CXRQLKXJQKEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c13-7-6-12(4-5-12)10-14-8-3-11-2-1-9-15-11/h1-2,9H,3-6,8,10H2.
What are the key properties of 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile?
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile has a molecular weight of 221.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65494698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).