4-hydrazinyl-4-methylpentan-2-one

C6H14N2O — CID 139439757

IUPAC4-hydrazinyl-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)NN
InChIInChI=1S/C6H14N2O/c1-5(9)4-6(2,3)8-7/h8H,4,7H2,1-3H3
InChIKeyBDFOPRDTOKFXPX-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.21
Rot. Bonds3

About 4-hydrazinyl-4-methylpentan-2-one

4-hydrazinyl-4-methylpentan-2-one (PubChem CID 139439757) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-hydrazinyl-4-methylpentan-2-one.

Molecular Properties

Compound Name4-hydrazinyl-4-methylpentan-2-one
PubChem CID139439757
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-hydrazinyl-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)NN
InChIInChI=1S/C6H14N2O/c1-5(9)4-6(2,3)8-7/h8H,4,7H2,1-3H3
InChIKeyBDFOPRDTOKFXPX-UHFFFAOYSA-N
XLogP0.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-4-oxopentan-2-yl)carbamoyl iodide
CID 170274547
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
4-amino-4-methylpentan-2-one;ethane
CID 142087513
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
3-chloro-N-(2-methyl-4-oxopentan-2-yl)propanamide
CID 86004793
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2-methyl-4-oxopentan-2-olate
CID 101443169
3-acetyl-3-methylhexane-2,5-dione
CID 12571378
CID 15855332
CID 15855332

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-4-methylpentan-2-one?
The IUPAC name of 4-hydrazinyl-4-methylpentan-2-one (CID 139439757) is 4-hydrazinyl-4-methylpentan-2-one.
What is the SMILES notation for 4-hydrazinyl-4-methylpentan-2-one?
The canonical SMILES for 4-hydrazinyl-4-methylpentan-2-one is CC(=O)CC(C)(C)NN.
What is the InChIKey of 4-hydrazinyl-4-methylpentan-2-one?
The InChIKey is BDFOPRDTOKFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(9)4-6(2,3)8-7/h8H,4,7H2,1-3H3.
What are the key properties of 4-hydrazinyl-4-methylpentan-2-one?
4-hydrazinyl-4-methylpentan-2-one has a molecular weight of 130.19 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-4-methylpentan-2-one is sourced from PubChem (CID 139439757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).