N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide

C12H12N2OS — CID 6530763

IUPACN-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C1/CC2C=CCC12)c1cccs1
InChIInChI=1S/C12H12N2OS/c15-12(11-5-2-6-16-11)14-13-10-7-8-3-1-4-9(8)10/h1-3,5-6,8-9H,4,7H2,(H,14,15)/b13-10-
InChIKeyIBUZHAWKTWSTTF-RAXLEYEMSA-N
MW232.31 g/mol
LogP2.43
Rot. Bonds2

About N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide

N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide (PubChem CID 6530763) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide
PubChem CID6530763
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C1/CC2C=CCC12)c1cccs1
InChIInChI=1S/C12H12N2OS/c15-12(11-5-2-6-16-11)14-13-10-7-8-3-1-4-9(8)10/h1-3,5-6,8-9H,4,7H2,(H,14,15)/b13-10-
InChIKeyIBUZHAWKTWSTTF-RAXLEYEMSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide (CID 6530763) is N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide is O=C(N/N=C1/CC2C=CCC12)c1cccs1.
What is the InChIKey of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide?
The InChIKey is IBUZHAWKTWSTTF-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-12(11-5-2-6-16-11)14-13-10-7-8-3-1-4-9(8)10/h1-3,5-6,8-9H,4,7H2,(H,14,15)/b13-10-.
What are the key properties of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide?
N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6530763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).