ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol

C7H18N2O2 — CID 169238990

IUPACethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol
SMILESCC.CC1(O)CC(O)(NN)C1
InChIInChI=1S/C5H12N2O2.C2H6/c1-4(8)2-5(9,3-4)7-6;1-2/h7-9H,2-3,6H2,1H3;1-2H3
InChIKeyOYQSKVYRMLYYKD-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.29
Rot. Bonds1

About ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol

ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol (PubChem CID 169238990) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol.

Molecular Properties

Compound Nameethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol
PubChem CID169238990
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Nameethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol
SMILESCC.CC1(O)CC(O)(NN)C1
InChIInChI=1S/C5H12N2O2.C2H6/c1-4(8)2-5(9,3-4)7-6;1-2/h7-9H,2-3,6H2,1H3;1-2H3
InChIKeyOYQSKVYRMLYYKD-UHFFFAOYSA-N
XLogP-0.29
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol?
The IUPAC name of ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol (CID 169238990) is ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol.
What is the SMILES notation for ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol?
The canonical SMILES for ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol is CC.CC1(O)CC(O)(NN)C1.
What is the InChIKey of ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol?
The InChIKey is OYQSKVYRMLYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6/c1-4(8)2-5(9,3-4)7-6;1-2/h7-9H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol?
ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol has a molecular weight of 162.23 g/mol, XLogP of -0.29, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol is sourced from PubChem (CID 169238990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).