2-hydrazinyl-3-methylbut-3-en-2-ol

C5H12N2O — CID 3027769

IUPAC2-hydrazinyl-3-methylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)NN
InChIInChI=1S/C5H12N2O/c1-4(2)5(3,8)7-6/h7-8H,1,6H2,2-3H3
InChIKeyBRAPRBOYYXMCCP-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.27
Rot. Bonds2

About 2-hydrazinyl-3-methylbut-3-en-2-ol

2-hydrazinyl-3-methylbut-3-en-2-ol (PubChem CID 3027769) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-hydrazinyl-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name2-hydrazinyl-3-methylbut-3-en-2-ol
PubChem CID3027769
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-hydrazinyl-3-methylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)NN
InChIInChI=1S/C5H12N2O/c1-4(2)5(3,8)7-6/h7-8H,1,6H2,2-3H3
InChIKeyBRAPRBOYYXMCCP-UHFFFAOYSA-N
XLogP-0.27
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-hydrazinyl-3-methylbut-3-en-2-ol?
The IUPAC name of 2-hydrazinyl-3-methylbut-3-en-2-ol (CID 3027769) is 2-hydrazinyl-3-methylbut-3-en-2-ol.
What is the SMILES notation for 2-hydrazinyl-3-methylbut-3-en-2-ol?
The canonical SMILES for 2-hydrazinyl-3-methylbut-3-en-2-ol is C=C(C)C(C)(O)NN.
What is the InChIKey of 2-hydrazinyl-3-methylbut-3-en-2-ol?
The InChIKey is BRAPRBOYYXMCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)5(3,8)7-6/h7-8H,1,6H2,2-3H3.
What are the key properties of 2-hydrazinyl-3-methylbut-3-en-2-ol?
2-hydrazinyl-3-methylbut-3-en-2-ol has a molecular weight of 116.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-methylbut-3-en-2-ol is sourced from PubChem (CID 3027769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).