3-hydrazinyl-2,2-dimethyl-3-oxopropanamide

C5H11N3O2 — CID 119096554

IUPAC3-hydrazinyl-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(N)=O)C(=O)NN
InChIInChI=1S/C5H11N3O2/c1-5(2,3(6)9)4(10)8-7/h7H2,1-2H3,(H2,6,9)(H,8,10)
InChIKeyGVANIPKBDDAOMX-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.51
Rot. Bonds2

About 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide

3-hydrazinyl-2,2-dimethyl-3-oxopropanamide (PubChem CID 119096554) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-hydrazinyl-2,2-dimethyl-3-oxopropanamide
PubChem CID119096554
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name3-hydrazinyl-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(N)=O)C(=O)NN
InChIInChI=1S/C5H11N3O2/c1-5(2,3(6)9)4(10)8-7/h7H2,1-2H3,(H2,6,9)(H,8,10)
InChIKeyGVANIPKBDDAOMX-UHFFFAOYSA-N
XLogP-1.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide (CID 119096554) is 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide is CC(C)(C(N)=O)C(=O)NN.
What is the InChIKey of 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide?
The InChIKey is GVANIPKBDDAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-5(2,3(6)9)4(10)8-7/h7H2,1-2H3,(H2,6,9)(H,8,10).
What are the key properties of 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide?
3-hydrazinyl-2,2-dimethyl-3-oxopropanamide has a molecular weight of 145.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 119096554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).