ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one

C7H18N2O2 — CID 145050521

IUPACethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
SMILESCC.CC(=O)[C@H](CCO)NN
InChIInChI=1S/C5H12N2O2.C2H6/c1-4(9)5(7-6)2-3-8;1-2/h5,7-8H,2-3,6H2,1H3;1-2H3/t5-;/m0./s1
InChIKeyYAGNGEDFEJGMDC-JEDNCBNOSA-N
MW162.23 g/mol
LogP-0.18
Rot. Bonds4

About ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one

ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one (PubChem CID 145050521) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one.

Molecular Properties

Compound Nameethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
PubChem CID145050521
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Nameethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
SMILESCC.CC(=O)[C@H](CCO)NN
InChIInChI=1S/C5H12N2O2.C2H6/c1-4(9)5(7-6)2-3-8;1-2/h5,7-8H,2-3,6H2,1H3;1-2H3/t5-;/m0./s1
InChIKeyYAGNGEDFEJGMDC-JEDNCBNOSA-N
XLogP-0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one?
The IUPAC name of ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one (CID 145050521) is ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one.
What is the SMILES notation for ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one?
The canonical SMILES for ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one is CC.CC(=O)[C@H](CCO)NN.
What is the InChIKey of ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one?
The InChIKey is YAGNGEDFEJGMDC-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6/c1-4(9)5(7-6)2-3-8;1-2/h5,7-8H,2-3,6H2,1H3;1-2H3/t5-;/m0./s1.
What are the key properties of ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one?
ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one has a molecular weight of 162.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one is sourced from PubChem (CID 145050521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).