5-hydrazinylhexan-2-one

C6H14N2O — CID 90310478

IUPAC5-hydrazinylhexan-2-one
SMILESCC(=O)CCC(C)NN
InChIInChI=1S/C6H14N2O/c1-5(8-7)3-4-6(2)9/h5,8H,3-4,7H2,1-2H3
InChIKeySOUQEGNRFOEXLE-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.21
Rot. Bonds4

About 5-hydrazinylhexan-2-one

5-hydrazinylhexan-2-one (PubChem CID 90310478) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 5-hydrazinylhexan-2-one.

Molecular Properties

Compound Name5-hydrazinylhexan-2-one
PubChem CID90310478
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name5-hydrazinylhexan-2-one
SMILESCC(=O)CCC(C)NN
InChIInChI=1S/C6H14N2O/c1-5(8-7)3-4-6(2)9/h5,8H,3-4,7H2,1-2H3
InChIKeySOUQEGNRFOEXLE-UHFFFAOYSA-N
XLogP0.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

(5S)-5-hydroxyhexan-2-one
CID 11491928
methyl (2S)-2-nitro-5-oxohexanoate
CID 124526416
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
CID 129234537
(3R)-3-aminoheptane-2,6-dione
CID 154592232
(5S)-5-methyl-7-(methylamino)heptan-2-one
CID 89328211
4-aminooctane-2,7-dione
CID 89306348
N-(1-amino-4-oxopentoxy)acetamide
CID 87260245
hexane-2,5-dione
CID 8035
2,6-dimethylheptan-4-one;5-methylhexan-2-one
CID 88697321
5-amino-7-hydroxyheptan-2-one
CID 175205558
3-aminoheptane-2,6-dione;propane
CID 155584486

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinylhexan-2-one?
The IUPAC name of 5-hydrazinylhexan-2-one (CID 90310478) is 5-hydrazinylhexan-2-one.
What is the SMILES notation for 5-hydrazinylhexan-2-one?
The canonical SMILES for 5-hydrazinylhexan-2-one is CC(=O)CCC(C)NN.
What is the InChIKey of 5-hydrazinylhexan-2-one?
The InChIKey is SOUQEGNRFOEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(8-7)3-4-6(2)9/h5,8H,3-4,7H2,1-2H3.
What are the key properties of 5-hydrazinylhexan-2-one?
5-hydrazinylhexan-2-one has a molecular weight of 130.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinylhexan-2-one is sourced from PubChem (CID 90310478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).