(E)-4-aminobut-2-en-2-ol

C4H9NO — CID 163890736

IUPAC(E)-4-aminobut-2-en-2-ol
SMILESC/C(O)=C\CN
InChIInChI=1S/C4H9NO/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2+
InChIKeyCTTZQHOIFRRGGP-DUXPYHPUSA-N
MW87.12 g/mol
LogP0.41
Rot. Bonds1

About (E)-4-aminobut-2-en-2-ol

(E)-4-aminobut-2-en-2-ol (PubChem CID 163890736) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (E)-4-aminobut-2-en-2-ol.

Molecular Properties

Compound Name(E)-4-aminobut-2-en-2-ol
PubChem CID163890736
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(E)-4-aminobut-2-en-2-ol
SMILESC/C(O)=C\CN
InChIInChI=1S/C4H9NO/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2+
InChIKeyCTTZQHOIFRRGGP-DUXPYHPUSA-N
XLogP0.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.41
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

(Z)-4-amino-4-fluorobut-2-en-2-ol
CID 146384620
4-Aminobut-2-en-2-ol
CID 18450356
(Z)-1,4-diaminobut-2-en-2-ol
CID 59237838
CID 73446362
CID 73446362
(E)-5-aminopent-2-en-2-ol
CID 87092158
(Z)-4-amino-4-(iodoamino)but-2-en-2-ol
CID 88913390
1-(Chloroamino)but-2-en-2-ol
CID 122597605
1-Aminobut-2-en-2-ol
CID 141330964
1,1-Diaminobut-2-en-2-ol
CID 141451987
(Z)-1-aminobut-2-en-2-ol
CID 141572757
(Z)-4-(methylamino)but-2-en-2-ol
CID 141782537
(2E,4Z)-1-aminohexa-2,4-dien-2-ol
CID 141975572

Frequently Asked Questions

What is the IUPAC name of (E)-4-aminobut-2-en-2-ol?
The IUPAC name of (E)-4-aminobut-2-en-2-ol (CID 163890736) is (E)-4-aminobut-2-en-2-ol.
What is the SMILES notation for (E)-4-aminobut-2-en-2-ol?
The canonical SMILES for (E)-4-aminobut-2-en-2-ol is C/C(O)=C\CN.
What is the InChIKey of (E)-4-aminobut-2-en-2-ol?
The InChIKey is CTTZQHOIFRRGGP-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-4-aminobut-2-en-2-ol?
(E)-4-aminobut-2-en-2-ol has a molecular weight of 87.12 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-aminobut-2-en-2-ol is sourced from PubChem (CID 163890736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).