2-cyclopropylthiophene-3-carbonitrile

C8H7NS — CID 163337728

IUPAC2-cyclopropylthiophene-3-carbonitrile
SMILESN#Cc1ccsc1C1CC1
InChIInChI=1S/C8H7NS/c9-5-7-3-4-10-8(7)6-1-2-6/h3-4,6H,1-2H2
InChIKeyQRWIPAVCXHTRLT-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.50
Rot. Bonds1

About 2-cyclopropylthiophene-3-carbonitrile

2-cyclopropylthiophene-3-carbonitrile (PubChem CID 163337728) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-cyclopropylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-cyclopropylthiophene-3-carbonitrile
PubChem CID163337728
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name2-cyclopropylthiophene-3-carbonitrile
SMILESN#Cc1ccsc1C1CC1
InChIInChI=1S/C8H7NS/c9-5-7-3-4-10-8(7)6-1-2-6/h3-4,6H,1-2H2
InChIKeyQRWIPAVCXHTRLT-UHFFFAOYSA-N
XLogP2.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylthiophene-3-carbonitrile?
The IUPAC name of 2-cyclopropylthiophene-3-carbonitrile (CID 163337728) is 2-cyclopropylthiophene-3-carbonitrile.
What is the SMILES notation for 2-cyclopropylthiophene-3-carbonitrile?
The canonical SMILES for 2-cyclopropylthiophene-3-carbonitrile is N#Cc1ccsc1C1CC1.
What is the InChIKey of 2-cyclopropylthiophene-3-carbonitrile?
The InChIKey is QRWIPAVCXHTRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c9-5-7-3-4-10-8(7)6-1-2-6/h3-4,6H,1-2H2.
What are the key properties of 2-cyclopropylthiophene-3-carbonitrile?
2-cyclopropylthiophene-3-carbonitrile has a molecular weight of 149.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylthiophene-3-carbonitrile is sourced from PubChem (CID 163337728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).