3-aminobut-2-en-2-ol

C4H9NO — CID 76571458

IUPAC3-aminobut-2-en-2-ol
SMILESCC(N)=C(C)O
InChIInChI=1S/C4H9NO/c1-3(5)4(2)6/h6H,5H2,1-2H3
InChIKeyKPUUDDFOCFMPGZ-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.75
Rot. Bonds

About 3-aminobut-2-en-2-ol

3-aminobut-2-en-2-ol (PubChem CID 76571458) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 3-aminobut-2-en-2-ol.

Molecular Properties

Compound Name3-aminobut-2-en-2-ol
PubChem CID76571458
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name3-aminobut-2-en-2-ol
SMILESCC(N)=C(C)O
InChIInChI=1S/C4H9NO/c1-3(5)4(2)6/h6H,5H2,1-2H3
InChIKeyKPUUDDFOCFMPGZ-UHFFFAOYSA-N
XLogP0.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-diaminoprop-1-ene-1-thiol
CID 143171578
carbamic acid;N-propan-2-ylidenehydroxylamine
CID 22915581
(E)-3-hydroxy-2-methylbut-2-enamide
CID 87140433
(E)-2-amino-3-hydroxybut-2-enoic acid
CID 54736301
3-amino-2-methylbut-2-enoic acid
CID 6713463
2-aminopent-2-en-3-ol
CID 151656039
acetic acid;carbamic acid;silane
CID 174514013
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
acetamide
CID 139024037
actinium;3-methylbut-2-en-2-ol
CID 22892781
1-aminoethylidenechromium
CID 519987
2-(hydroxyamino)propanamide
CID 12611671

Frequently Asked Questions

What is the IUPAC name of 3-aminobut-2-en-2-ol?
The IUPAC name of 3-aminobut-2-en-2-ol (CID 76571458) is 3-aminobut-2-en-2-ol.
What is the SMILES notation for 3-aminobut-2-en-2-ol?
The canonical SMILES for 3-aminobut-2-en-2-ol is CC(N)=C(C)O.
What is the InChIKey of 3-aminobut-2-en-2-ol?
The InChIKey is KPUUDDFOCFMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3(5)4(2)6/h6H,5H2,1-2H3.
What are the key properties of 3-aminobut-2-en-2-ol?
3-aminobut-2-en-2-ol has a molecular weight of 87.12 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobut-2-en-2-ol is sourced from PubChem (CID 76571458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).