2-methylbutanehydrazide

C5H12N2O — CID 16780899

IUPAC2-methylbutanehydrazide
SMILESCCC(C)C(=O)NN
InChIInChI=1S/C5H12N2O/c1-3-4(2)5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyXZHQUWDDJFKLND-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.02
Rot. Bonds2

About 2-methylbutanehydrazide

2-methylbutanehydrazide (PubChem CID 16780899) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methylbutanehydrazide.

Molecular Properties

Compound Name2-methylbutanehydrazide
PubChem CID16780899
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-methylbutanehydrazide
SMILESCCC(C)C(=O)NN
InChIInChI=1S/C5H12N2O/c1-3-4(2)5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyXZHQUWDDJFKLND-UHFFFAOYSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-methylbutanehydrazide?
The IUPAC name of 2-methylbutanehydrazide (CID 16780899) is 2-methylbutanehydrazide.
What is the SMILES notation for 2-methylbutanehydrazide?
The canonical SMILES for 2-methylbutanehydrazide is CCC(C)C(=O)NN.
What is the InChIKey of 2-methylbutanehydrazide?
The InChIKey is XZHQUWDDJFKLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-4(2)5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-methylbutanehydrazide?
2-methylbutanehydrazide has a molecular weight of 116.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanehydrazide is sourced from PubChem (CID 16780899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).