N-[(Z)-2-cyanobut-2-enyl]formamide

C6H8N2O — CID 143929293

IUPACN-[(Z)-2-cyanobut-2-enyl]formamide
SMILESC/C=C(\C#N)CNC=O
InChIInChI=1S/C6H8N2O/c1-2-6(3-7)4-8-5-9/h2,5H,4H2,1H3,(H,8,9)/b6-2+
InChIKeyBSLRNBJVMGOCLW-QHHAFSJGSA-N
MW124.14 g/mol
LogP0.20
Rot. Bonds3

About N-[(Z)-2-cyanobut-2-enyl]formamide

N-[(Z)-2-cyanobut-2-enyl]formamide (PubChem CID 143929293) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-[(Z)-2-cyanobut-2-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-cyanobut-2-enyl]formamide
PubChem CID143929293
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-[(Z)-2-cyanobut-2-enyl]formamide
SMILESC/C=C(\C#N)CNC=O
InChIInChI=1S/C6H8N2O/c1-2-6(3-7)4-8-5-9/h2,5H,4H2,1H3,(H,8,9)/b6-2+
InChIKeyBSLRNBJVMGOCLW-QHHAFSJGSA-N
XLogP0.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyanobut-2-enyl]formamide?
The IUPAC name of N-[(Z)-2-cyanobut-2-enyl]formamide (CID 143929293) is N-[(Z)-2-cyanobut-2-enyl]formamide.
What is the SMILES notation for N-[(Z)-2-cyanobut-2-enyl]formamide?
The canonical SMILES for N-[(Z)-2-cyanobut-2-enyl]formamide is C/C=C(\C#N)CNC=O.
What is the InChIKey of N-[(Z)-2-cyanobut-2-enyl]formamide?
The InChIKey is BSLRNBJVMGOCLW-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-6(3-7)4-8-5-9/h2,5H,4H2,1H3,(H,8,9)/b6-2+.
What are the key properties of N-[(Z)-2-cyanobut-2-enyl]formamide?
N-[(Z)-2-cyanobut-2-enyl]formamide has a molecular weight of 124.14 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyanobut-2-enyl]formamide is sourced from PubChem (CID 143929293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).