2,3-diiminobutan-1-ol

C4H8N2O — CID 145039508

IUPAC2,3-diiminobutan-1-ol
SMILES[H]/N=C(CO)/C(C)=N/[H]
InChIInChI=1S/C4H8N2O/c1-3(5)4(6)2-7/h5-7H,2H2,1H3/b5-3+,6-4+
InChIKeyFOZGDLPXVGBLOY-GGWOSOGESA-N
MW100.12 g/mol
LogP0.04
Rot. Bonds2

About 2,3-diiminobutan-1-ol

2,3-diiminobutan-1-ol (PubChem CID 145039508) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 2,3-diiminobutan-1-ol.

Molecular Properties

Compound Name2,3-diiminobutan-1-ol
PubChem CID145039508
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name2,3-diiminobutan-1-ol
SMILES[H]/N=C(CO)/C(C)=N/[H]
InChIInChI=1S/C4H8N2O/c1-3(5)4(6)2-7/h5-7H,2H2,1H3/b5-3+,6-4+
InChIKeyFOZGDLPXVGBLOY-GGWOSOGESA-N
XLogP0.04
TPSA67.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Butanedione dioxime, 1-hydroxy-
CID 137241957
4-Iminopentanol
CID 123912692
3-Iminobutan-1-ol
CID 54468047
3-Iminopentan-1-ol
CID 57151415
3-Iminobutan-2-ol
CID 57634791
[(4R)-4-hydroxyhexan-3-ylidene]azanium
CID 59915605
4-Iminohexan-3-ol
CID 72595089
2-Iminopentan-1-ol
CID 88251980
2-Imino-3-methylbutan-1-ol
CID 88252798
2-Iminohexan-1-ol
CID 88252850
Methyl 4-hydroxy-3-iminobutanimidate
CID 89089219
2-Iminopentan-3-ol
CID 89425727

Frequently Asked Questions

What is the IUPAC name of 2,3-diiminobutan-1-ol?
The IUPAC name of 2,3-diiminobutan-1-ol (CID 145039508) is 2,3-diiminobutan-1-ol.
What is the SMILES notation for 2,3-diiminobutan-1-ol?
The canonical SMILES for 2,3-diiminobutan-1-ol is [H]/N=C(CO)/C(C)=N/[H].
What is the InChIKey of 2,3-diiminobutan-1-ol?
The InChIKey is FOZGDLPXVGBLOY-GGWOSOGESA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(5)4(6)2-7/h5-7H,2H2,1H3/b5-3+,6-4+.
What are the key properties of 2,3-diiminobutan-1-ol?
2,3-diiminobutan-1-ol has a molecular weight of 100.12 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiminobutan-1-ol is sourced from PubChem (CID 145039508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).