5-(1-aminocyclopropyl)thiophene-2-carbonitrile

C8H8N2S — CID 131566372

IUPAC5-(1-aminocyclopropyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(C2(N)CC2)s1
InChIInChI=1S/C8H8N2S/c9-5-6-1-2-7(11-6)8(10)3-4-8/h1-2H,3-4,10H2
InChIKeyCJBVGOPXJGBCML-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.57
Rot. Bonds1

About 5-(1-aminocyclopropyl)thiophene-2-carbonitrile

5-(1-aminocyclopropyl)thiophene-2-carbonitrile (PubChem CID 131566372) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)thiophene-2-carbonitrile
PubChem CID131566372
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name5-(1-aminocyclopropyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(C2(N)CC2)s1
InChIInChI=1S/C8H8N2S/c9-5-6-1-2-7(11-6)8(10)3-4-8/h1-2H,3-4,10H2
InChIKeyCJBVGOPXJGBCML-UHFFFAOYSA-N
XLogP1.57
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(1-aminocyclopropyl)thiophene-2-carbonitrile (CID 131566372) is 5-(1-aminocyclopropyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(1-aminocyclopropyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(1-aminocyclopropyl)thiophene-2-carbonitrile is N#Cc1ccc(C2(N)CC2)s1.
What is the InChIKey of 5-(1-aminocyclopropyl)thiophene-2-carbonitrile?
The InChIKey is CJBVGOPXJGBCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-5-6-1-2-7(11-6)8(10)3-4-8/h1-2H,3-4,10H2.
What are the key properties of 5-(1-aminocyclopropyl)thiophene-2-carbonitrile?
5-(1-aminocyclopropyl)thiophene-2-carbonitrile has a molecular weight of 164.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)thiophene-2-carbonitrile is sourced from PubChem (CID 131566372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).