(E)-2-amino-3-methylbut-1-en-1-ol

C5H11NO — CID 143140668

IUPAC(E)-2-amino-3-methylbut-1-en-1-ol
SMILESCC(C)/C(N)=C\O
InChIInChI=1S/C5H11NO/c1-4(2)5(6)3-7/h3-4,7H,6H2,1-2H3/b5-3+
InChIKeyVPUVXVQHSPOWNM-HWKANZROSA-N
MW101.15 g/mol
LogP1.00
Rot. Bonds1

About (E)-2-amino-3-methylbut-1-en-1-ol

(E)-2-amino-3-methylbut-1-en-1-ol (PubChem CID 143140668) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-2-amino-3-methylbut-1-en-1-ol.

Molecular Properties

Compound Name(E)-2-amino-3-methylbut-1-en-1-ol
PubChem CID143140668
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-2-amino-3-methylbut-1-en-1-ol
SMILESCC(C)/C(N)=C\O
InChIInChI=1S/C5H11NO/c1-4(2)5(6)3-7/h3-4,7H,6H2,1-2H3/b5-3+
InChIKeyVPUVXVQHSPOWNM-HWKANZROSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.00
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)-2-aminobut-1-en-1-ol
CID 20465493
(2S)-3-amino-2-methylbut-3-en-1-ol
CID 137504227
(E)-2-amino-2-cyclopropylethenol
CID 140634221
(Z)-2-amino-3-methylpent-1-en-1-ol
CID 143296127
3-Amino-2-methylbut-3-en-1-ol
CID 143544491
(2R)-3-amino-2-methylbut-3-en-1-ol
CID 145493062
(Z)-2-aminopent-1-en-1-ol
CID 147976463
2-Aminopent-1-en-1-ol
CID 150603438
2-Aminobut-1-en-1-ol
CID 154169149
(Z)-2-amino-2-cyclopropylethenol
CID 166048345
(1Z)-2-aminopenta-1,4-dien-1-ol
CID 173124766
2-Amino-3-methylpent-1-en-1-ol
CID 174285066

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-methylbut-1-en-1-ol?
The IUPAC name of (E)-2-amino-3-methylbut-1-en-1-ol (CID 143140668) is (E)-2-amino-3-methylbut-1-en-1-ol.
What is the SMILES notation for (E)-2-amino-3-methylbut-1-en-1-ol?
The canonical SMILES for (E)-2-amino-3-methylbut-1-en-1-ol is CC(C)/C(N)=C\O.
What is the InChIKey of (E)-2-amino-3-methylbut-1-en-1-ol?
The InChIKey is VPUVXVQHSPOWNM-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(2)5(6)3-7/h3-4,7H,6H2,1-2H3/b5-3+.
What are the key properties of (E)-2-amino-3-methylbut-1-en-1-ol?
(E)-2-amino-3-methylbut-1-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-methylbut-1-en-1-ol is sourced from PubChem (CID 143140668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).