N-[(E)-ethylideneamino]butanamide

C6H12N2O — CID 15130208

IUPACN-[(E)-ethylideneamino]butanamide
SMILESC/C=N/NC(=O)CCC
InChIInChI=1S/C6H12N2O/c1-3-5-6(9)8-7-4-2/h4H,3,5H2,1-2H3,(H,8,9)/b7-4+
InChIKeyBTELMOFIBJKBFB-QPJJXVBHSA-N
MW128.17 g/mol
LogP0.91
Rot. Bonds3

About N-[(E)-ethylideneamino]butanamide

N-[(E)-ethylideneamino]butanamide (PubChem CID 15130208) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]butanamide.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]butanamide
PubChem CID15130208
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[(E)-ethylideneamino]butanamide
SMILESC/C=N/NC(=O)CCC
InChIInChI=1S/C6H12N2O/c1-3-5-6(9)8-7-4-2/h4H,3,5H2,1-2H3,(H,8,9)/b7-4+
InChIKeyBTELMOFIBJKBFB-QPJJXVBHSA-N
XLogP0.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-ethylideneamino]butanamide?
The IUPAC name of N-[(E)-ethylideneamino]butanamide (CID 15130208) is N-[(E)-ethylideneamino]butanamide.
What is the SMILES notation for N-[(E)-ethylideneamino]butanamide?
The canonical SMILES for N-[(E)-ethylideneamino]butanamide is C/C=N/NC(=O)CCC.
What is the InChIKey of N-[(E)-ethylideneamino]butanamide?
The InChIKey is BTELMOFIBJKBFB-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5-6(9)8-7-4-2/h4H,3,5H2,1-2H3,(H,8,9)/b7-4+.
What are the key properties of N-[(E)-ethylideneamino]butanamide?
N-[(E)-ethylideneamino]butanamide has a molecular weight of 128.17 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]butanamide is sourced from PubChem (CID 15130208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).