acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide

C11H22N4O5 — CID 172984456

IUPACacetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide
SMILESC.CC(=O)/C=N/NC(C)=O.CC(=O)C=O.CC(=O)NN
InChIInChI=1S/C5H8N2O2.C3H4O2.C2H6N2O.CH4/c1-4(8)3-6-7-5(2)9;1-3(5)2-4;1-2(5)4-3;/h3H,1-2H3,(H,7,9);2H,1H3;3H2,1H3,(H,4,5);1H4/b6-3+;;;
InChIKeyHGWXNWCGJFIGRQ-LESCHLGKSA-N
MW290.32 g/mol
LogP-0.90
Rot. Bonds3

About acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide

acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide (PubChem CID 172984456) has the molecular formula C11H22N4O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide.

Molecular Properties

Compound Nameacetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide
PubChem CID172984456
Molecular FormulaC11H22N4O5
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Nameacetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide
SMILESC.CC(=O)/C=N/NC(C)=O.CC(=O)C=O.CC(=O)NN
InChIInChI=1S/C5H8N2O2.C3H4O2.C2H6N2O.CH4/c1-4(8)3-6-7-5(2)9;1-3(5)2-4;1-2(5)4-3;/h3H,1-2H3,(H,7,9);2H,1H3;3H2,1H3,(H,4,5);1H4/b6-3+;;;
InChIKeyHGWXNWCGJFIGRQ-LESCHLGKSA-N
XLogP-0.90
TPSA147.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
[(E)-2-oxopropylideneamino]urea
CID 13238217
4-(acetylhydrazinylidene)-3-oxobutanoic acid
CID 141163913
acetohydrazide
CID 169432654
N-[(E)-[(E)-4-oxo-2-(trifluoromethyl)pent-2-enylidene]amino]acetamide
CID 22892837
(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one
CID 87205234
(1Z)-1-(tert-butylhydrazinylidene)propan-2-one
CID 129373313
molecular iodine;2-oxopropanal
CID 158647886
oxaldehyde;2-oxopropanal
CID 22114514
2-(acetamidohydrazinylidene)acetohydrazide
CID 71434705
acetohydrazide;butan-2-one;bis(N-[(Z)-butan-2-ylideneamino]acetamide)
CID 172928532
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763

Frequently Asked Questions

What is the IUPAC name of acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide?
The IUPAC name of acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide (CID 172984456) is acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide.
What is the SMILES notation for acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide?
The canonical SMILES for acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide is C.CC(=O)/C=N/NC(C)=O.CC(=O)C=O.CC(=O)NN.
What is the InChIKey of acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide?
The InChIKey is HGWXNWCGJFIGRQ-LESCHLGKSA-N. The full InChI is InChI=1S/C5H8N2O2.C3H4O2.C2H6N2O.CH4/c1-4(8)3-6-7-5(2)9;1-3(5)2-4;1-2(5)4-3;/h3H,1-2H3,(H,7,9);2H,1H3;3H2,1H3,(H,4,5);1H4/b6-3+;;;.
What are the key properties of acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide?
acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide has a molecular weight of 290.32 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;methane;2-oxopropanal;N-[(E)-2-oxopropylideneamino]acetamide is sourced from PubChem (CID 172984456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).