N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide

C9H8N2OS — CID 2137671

IUPACN-(3-cyanothiophen-2-yl)cyclopropanecarboxamide
SMILESN#Cc1ccsc1NC(=O)C1CC1
InChIInChI=1S/C9H8N2OS/c10-5-7-3-4-13-9(7)11-8(12)6-1-2-6/h3-4,6H,1-2H2,(H,11,12)
InChIKeyBUWMJAUJURFMOU-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.97
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide

N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide (PubChem CID 2137671) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)cyclopropanecarboxamide
PubChem CID2137671
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN-(3-cyanothiophen-2-yl)cyclopropanecarboxamide
SMILESN#Cc1ccsc1NC(=O)C1CC1
InChIInChI=1S/C9H8N2OS/c10-5-7-3-4-13-9(7)11-8(12)6-1-2-6/h3-4,6H,1-2H2,(H,11,12)
InChIKeyBUWMJAUJURFMOU-UHFFFAOYSA-N
XLogP1.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide (CID 2137671) is N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide is N#Cc1ccsc1NC(=O)C1CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide?
The InChIKey is BUWMJAUJURFMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-5-7-3-4-13-9(7)11-8(12)6-1-2-6/h3-4,6H,1-2H2,(H,11,12).
What are the key properties of N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide?
N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 2137671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).