(2R)-2-diazenylbutane-1,4-diol

C4H10N2O2 — CID 89371111

IUPAC(2R)-2-diazenylbutane-1,4-diol
SMILES[H]/N=N/[C@@H](CO)CCO
InChIInChI=1S/C4H10N2O2/c5-6-4(3-8)1-2-7/h4-5,7-8H,1-3H2/b6-5+/t4-/m1/s1
InChIKeyNJLGONGKIZKWRQ-QAWSSWINSA-N
MW118.14 g/mol
LogP-0.24
Rot. Bonds4

About (2R)-2-diazenylbutane-1,4-diol

(2R)-2-diazenylbutane-1,4-diol (PubChem CID 89371111) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (2R)-2-diazenylbutane-1,4-diol.

Molecular Properties

Compound Name(2R)-2-diazenylbutane-1,4-diol
PubChem CID89371111
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(2R)-2-diazenylbutane-1,4-diol
SMILES[H]/N=N/[C@@H](CO)CCO
InChIInChI=1S/C4H10N2O2/c5-6-4(3-8)1-2-7/h4-5,7-8H,1-3H2/b6-5+/t4-/m1/s1
InChIKeyNJLGONGKIZKWRQ-QAWSSWINSA-N
XLogP-0.24
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-diazenylbutane-1,4-diol?
The IUPAC name of (2R)-2-diazenylbutane-1,4-diol (CID 89371111) is (2R)-2-diazenylbutane-1,4-diol.
What is the SMILES notation for (2R)-2-diazenylbutane-1,4-diol?
The canonical SMILES for (2R)-2-diazenylbutane-1,4-diol is [H]/N=N/[C@@H](CO)CCO.
What is the InChIKey of (2R)-2-diazenylbutane-1,4-diol?
The InChIKey is NJLGONGKIZKWRQ-QAWSSWINSA-N. The full InChI is InChI=1S/C4H10N2O2/c5-6-4(3-8)1-2-7/h4-5,7-8H,1-3H2/b6-5+/t4-/m1/s1.
What are the key properties of (2R)-2-diazenylbutane-1,4-diol?
(2R)-2-diazenylbutane-1,4-diol has a molecular weight of 118.14 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-diazenylbutane-1,4-diol is sourced from PubChem (CID 89371111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).