N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide

C9H8N2OS — CID 130665106

IUPACN-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide
SMILESCC(=CC#N)NC(=O)c1cccs1
InChIInChI=1S/C9H8N2OS/c1-7(4-5-10)11-9(12)8-3-2-6-13-8/h2-4,6H,1H3,(H,11,12)
InChIKeyRZPOLMUOIPDMMQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.91
Rot. Bonds2

About N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide

N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide (PubChem CID 130665106) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide
PubChem CID130665106
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide
SMILESCC(=CC#N)NC(=O)c1cccs1
InChIInChI=1S/C9H8N2OS/c1-7(4-5-10)11-9(12)8-3-2-6-13-8/h2-4,6H,1H3,(H,11,12)
InChIKeyRZPOLMUOIPDMMQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide (CID 130665106) is N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide is CC(=CC#N)NC(=O)c1cccs1.
What is the InChIKey of N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide?
The InChIKey is RZPOLMUOIPDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-7(4-5-10)11-9(12)8-3-2-6-13-8/h2-4,6H,1H3,(H,11,12).
What are the key properties of N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide?
N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoprop-1-en-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 130665106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).