acetic acid;benzene-1,2-dicarbohydrazide

C10H14N4O4 — CID 174566374

IUPACacetic acid;benzene-1,2-dicarbohydrazide
SMILESCC(=O)O.NNC(=O)c1ccccc1C(=O)NN
InChIInChI=1S/C8H10N4O2.C2H4O2/c9-11-7(13)5-3-1-2-4-6(5)8(14)12-10;1-2(3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,3,4)
InChIKeyMBWJJFXYQMJPOD-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.02
Rot. Bonds2

About acetic acid;benzene-1,2-dicarbohydrazide

acetic acid;benzene-1,2-dicarbohydrazide (PubChem CID 174566374) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is acetic acid;benzene-1,2-dicarbohydrazide.

Molecular Properties

Compound Nameacetic acid;benzene-1,2-dicarbohydrazide
PubChem CID174566374
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Nameacetic acid;benzene-1,2-dicarbohydrazide
SMILESCC(=O)O.NNC(=O)c1ccccc1C(=O)NN
InChIInChI=1S/C8H10N4O2.C2H4O2/c9-11-7(13)5-3-1-2-4-6(5)8(14)12-10;1-2(3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,3,4)
InChIKeyMBWJJFXYQMJPOD-UHFFFAOYSA-N
XLogP-1.02
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetylbenzohydrazide;hydrochloride
CID 175815383
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2-methoxybenzohydrazide
CID 24051
2-propylbenzohydrazide
CID 140653675
benzohydrazide;propane
CID 90709051
2,3-dimethylbenzohydrazide
CID 16790549
4,6-dibenzoylbenzene-1,3-dicarbohydrazide
CID 141129125
2-tributylstannylbenzohydrazide
CID 66859798
benzohydrazide;molybdenum
CID 162076561
2-[hydroxy(phenyl)methyl]benzohydrazide
CID 54150972
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
azulene-1-carbohydrazide
CID 45118106

Frequently Asked Questions

What is the IUPAC name of acetic acid;benzene-1,2-dicarbohydrazide?
The IUPAC name of acetic acid;benzene-1,2-dicarbohydrazide (CID 174566374) is acetic acid;benzene-1,2-dicarbohydrazide.
What is the SMILES notation for acetic acid;benzene-1,2-dicarbohydrazide?
The canonical SMILES for acetic acid;benzene-1,2-dicarbohydrazide is CC(=O)O.NNC(=O)c1ccccc1C(=O)NN.
What is the InChIKey of acetic acid;benzene-1,2-dicarbohydrazide?
The InChIKey is MBWJJFXYQMJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.C2H4O2/c9-11-7(13)5-3-1-2-4-6(5)8(14)12-10;1-2(3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,3,4).
What are the key properties of acetic acid;benzene-1,2-dicarbohydrazide?
acetic acid;benzene-1,2-dicarbohydrazide has a molecular weight of 254.25 g/mol, XLogP of -1.02, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;benzene-1,2-dicarbohydrazide is sourced from PubChem (CID 174566374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).