(1R,2S)-2-amino-1-phenylbut-3-en-1-ol

C10H13NO — CID 10942782

IUPAC(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
SMILESC=C[C@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2-7,9-10,12H,1,11H2/t9-,10+/m0/s1
InChIKeyRUKMYBNFXQJQFG-VHSXEESVSA-N
MW163.22 g/mol
LogP1.23
Rot. Bonds3

About (1R,2S)-2-amino-1-phenylbut-3-en-1-ol

(1R,2S)-2-amino-1-phenylbut-3-en-1-ol (PubChem CID 10942782) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
PubChem CID10942782
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
SMILESC=C[C@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2-7,9-10,12H,1,11H2/t9-,10+/m0/s1
InChIKeyRUKMYBNFXQJQFG-VHSXEESVSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 174884403
(1S,2R)-2-amino-1,2-diphenylethanol
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(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
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2-amino-2-methylidenephosphanyl-1-phenylethanol
CID 146341853
(2R,3S)-3-amino-2-phenylpent-4-enal
CID 170084967
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
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CID 12705031

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-phenylbut-3-en-1-ol (CID 10942782) is (1R,2S)-2-amino-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-phenylbut-3-en-1-ol is C=C[C@H](N)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-amino-1-phenylbut-3-en-1-ol?
The InChIKey is RUKMYBNFXQJQFG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2-7,9-10,12H,1,11H2/t9-,10+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-phenylbut-3-en-1-ol?
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol has a molecular weight of 163.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 10942782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).