(E)-1-amino-4-phenylbut-3-en-2-ol

C10H13NO — CID 13462670

IUPAC(E)-1-amino-4-phenylbut-3-en-2-ol
SMILESNCC(O)/C=C/c1ccccc1
InChIInChI=1S/C10H13NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8,11H2/b7-6+
InChIKeyUTHAMCDUNPPWGL-VOTSOKGWSA-N
MW163.22 g/mol
LogP1.02
Rot. Bonds3

About (E)-1-amino-4-phenylbut-3-en-2-ol

(E)-1-amino-4-phenylbut-3-en-2-ol (PubChem CID 13462670) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-1-amino-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-4-phenylbut-3-en-2-ol
PubChem CID13462670
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(E)-1-amino-4-phenylbut-3-en-2-ol
SMILESNCC(O)/C=C/c1ccccc1
InChIInChI=1S/C10H13NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8,11H2/b7-6+
InChIKeyUTHAMCDUNPPWGL-VOTSOKGWSA-N
XLogP1.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-1-amino-4-phenylbut-3-en-2-ol (CID 13462670) is (E)-1-amino-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-amino-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-amino-4-phenylbut-3-en-2-ol is NCC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-amino-4-phenylbut-3-en-2-ol?
The InChIKey is UTHAMCDUNPPWGL-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H13NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H,8,11H2/b7-6+.
What are the key properties of (E)-1-amino-4-phenylbut-3-en-2-ol?
(E)-1-amino-4-phenylbut-3-en-2-ol has a molecular weight of 163.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 13462670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).