3-ethyl-4-oxopentanehydrazide

C7H14N2O2 — CID 160685877

IUPAC3-ethyl-4-oxopentanehydrazide
SMILESCCC(CC(=O)NN)C(C)=O
InChIInChI=1S/C7H14N2O2/c1-3-6(5(2)10)4-7(11)9-8/h6H,3-4,8H2,1-2H3,(H,9,11)
InChIKeySVHLTNSYNPJCSL-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.02
Rot. Bonds4

About 3-ethyl-4-oxopentanehydrazide

3-ethyl-4-oxopentanehydrazide (PubChem CID 160685877) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-ethyl-4-oxopentanehydrazide.

Molecular Properties

Compound Name3-ethyl-4-oxopentanehydrazide
PubChem CID160685877
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-ethyl-4-oxopentanehydrazide
SMILESCCC(CC(=O)NN)C(C)=O
InChIInChI=1S/C7H14N2O2/c1-3-6(5(2)10)4-7(11)9-8/h6H,3-4,8H2,1-2H3,(H,9,11)
InChIKeySVHLTNSYNPJCSL-UHFFFAOYSA-N
XLogP-0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-octylbutanedihydrazide
CID 19764915
3-(aminomethyl)pentanehydrazide
CID 81079841
sodium 3-ethyl-4-oxopentanoate
CID 158418112
3-ethylsulfanylbutanehydrazide
CID 63582860
(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
CID 160566842
3-phosphanylbutanehydrazide
CID 163485274
3-[(hydroxyamino)methyl]pentan-2-one
CID 141217416
2-aminobutanedihydrazide
CID 13018203
3,3-difluoropropanehydrazide
CID 162600392
(2S)-2-ethylhexanehydrazide
CID 40549650
3-(ethylaminomethyl)pentan-2-one
CID 143094053
3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
CID 87665575

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxopentanehydrazide?
The IUPAC name of 3-ethyl-4-oxopentanehydrazide (CID 160685877) is 3-ethyl-4-oxopentanehydrazide.
What is the SMILES notation for 3-ethyl-4-oxopentanehydrazide?
The canonical SMILES for 3-ethyl-4-oxopentanehydrazide is CCC(CC(=O)NN)C(C)=O.
What is the InChIKey of 3-ethyl-4-oxopentanehydrazide?
The InChIKey is SVHLTNSYNPJCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6(5(2)10)4-7(11)9-8/h6H,3-4,8H2,1-2H3,(H,9,11).
What are the key properties of 3-ethyl-4-oxopentanehydrazide?
3-ethyl-4-oxopentanehydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxopentanehydrazide is sourced from PubChem (CID 160685877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).