3-(methyldiazenyl)but-3-en-1-ol

C5H10N2O — CID 166913863

IUPAC3-(methyldiazenyl)but-3-en-1-ol
SMILESC=C(CCO)/N=N/C
InChIInChI=1S/C5H10N2O/c1-5(3-4-8)7-6-2/h8H,1,3-4H2,2H3/b7-6+
InChIKeyJNONOAOIFSYVLW-VOTSOKGWSA-N
MW114.15 g/mol
LogP0.96
Rot. Bonds3

About 3-(methyldiazenyl)but-3-en-1-ol

3-(methyldiazenyl)but-3-en-1-ol (PubChem CID 166913863) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-(methyldiazenyl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(methyldiazenyl)but-3-en-1-ol
PubChem CID166913863
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-(methyldiazenyl)but-3-en-1-ol
SMILESC=C(CCO)/N=N/C
InChIInChI=1S/C5H10N2O/c1-5(3-4-8)7-6-2/h8H,1,3-4H2,2H3/b7-6+
InChIKeyJNONOAOIFSYVLW-VOTSOKGWSA-N
XLogP0.96
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diaminomethyl)but-3-en-1-ol
CID 88602103
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997
3-tributylstannylbut-3-en-1-ol
CID 14272948
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
N-methyliminobutanamide
CID 141214785
ethane-1,2-diol;prop-1-en-2-ol
CID 87135468
methanamine;N-methylmethanimine;propan-1-ol
CID 162090269
(E)-3-methylideneoct-5-ene-1,7-diol
CID 15541689
ethane-1,2-diol;rhenium
CID 175749522
2-methylbutan-2-ol;3-methylbut-3-en-1-ol
CID 87324008

Frequently Asked Questions

What is the IUPAC name of 3-(methyldiazenyl)but-3-en-1-ol?
The IUPAC name of 3-(methyldiazenyl)but-3-en-1-ol (CID 166913863) is 3-(methyldiazenyl)but-3-en-1-ol.
What is the SMILES notation for 3-(methyldiazenyl)but-3-en-1-ol?
The canonical SMILES for 3-(methyldiazenyl)but-3-en-1-ol is C=C(CCO)/N=N/C.
What is the InChIKey of 3-(methyldiazenyl)but-3-en-1-ol?
The InChIKey is JNONOAOIFSYVLW-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(3-4-8)7-6-2/h8H,1,3-4H2,2H3/b7-6+.
What are the key properties of 3-(methyldiazenyl)but-3-en-1-ol?
3-(methyldiazenyl)but-3-en-1-ol has a molecular weight of 114.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyldiazenyl)but-3-en-1-ol is sourced from PubChem (CID 166913863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).