N-(butylideneamino)acetamide

C6H12N2O — CID 4121710

IUPACN-(butylideneamino)acetamide
SMILESCCCC=NNC(C)=O
InChIInChI=1S/C6H12N2O/c1-3-4-5-7-8-6(2)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyYQSWZOUYJKMTGZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.91
Rot. Bonds3

About N-(butylideneamino)acetamide

N-(butylideneamino)acetamide (PubChem CID 4121710) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(butylideneamino)acetamide.

Molecular Properties

Compound NameN-(butylideneamino)acetamide
PubChem CID4121710
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(butylideneamino)acetamide
SMILESCCCC=NNC(C)=O
InChIInChI=1S/C6H12N2O/c1-3-4-5-7-8-6(2)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyYQSWZOUYJKMTGZ-UHFFFAOYSA-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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Related Compounds

4-Methyl-2-pyrazolin-5-one
CID 98935
4,5-dihydro-1H-pyrazol-5-one
CID 316289
4,5-Dihydropyridazin-3(2H)-one
CID 13034799
4,4-dimethyl-1H-pyrazol-5-one
CID 12878845
N-[(E)-2,2-dimethylpropylideneamino]acetamide
CID 11389440
N-(3-methylbutylideneamino)acetamide
CID 57351099
N-(ethylideneamino)acetamide
CID 57976624
Acetic acid isobutylidene-hydrazide
CID 519289
Pentanal methylformyl-hydrazone
CID 59751852
N-(hexylideneamino)acetamide
CID 72747477
N-[(Z)-hexylideneamino]acetamide
CID 101620605
Acetaldehyde cyanoacetylhydrazone
CID 129765945

Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)acetamide?
The IUPAC name of N-(butylideneamino)acetamide (CID 4121710) is N-(butylideneamino)acetamide.
What is the SMILES notation for N-(butylideneamino)acetamide?
The canonical SMILES for N-(butylideneamino)acetamide is CCCC=NNC(C)=O.
What is the InChIKey of N-(butylideneamino)acetamide?
The InChIKey is YQSWZOUYJKMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-5-7-8-6(2)9/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(butylideneamino)acetamide?
N-(butylideneamino)acetamide 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-(butylideneamino)acetamide is sourced from PubChem (CID 4121710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).