1-amino-3-phenylprop-1-en-1-ol

C9H11NO — CID 67202427

IUPAC1-amino-3-phenylprop-1-en-1-ol
SMILESNC(O)=CCc1ccccc1
InChIInChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7,11H,6,10H2
InChIKeyLIMAGECSJJXGAD-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.59
Rot. Bonds2

About 1-amino-3-phenylprop-1-en-1-ol

1-amino-3-phenylprop-1-en-1-ol (PubChem CID 67202427) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-amino-3-phenylprop-1-en-1-ol.

Molecular Properties

Compound Name1-amino-3-phenylprop-1-en-1-ol
PubChem CID67202427
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-amino-3-phenylprop-1-en-1-ol
SMILESNC(O)=CCc1ccccc1
InChIInChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7,11H,6,10H2
InChIKeyLIMAGECSJJXGAD-UHFFFAOYSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.59
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

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3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
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[(Z)-1-fluoro-3-phenylprop-1-enyl]benzene
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2-chloro-4-phenylbut-2-en-1-ol
CID 54426656
[(2Z)-3-bromopenta-2,4-dienyl]benzene
CID 101147741
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
[(Z)-2,4-diphenylbut-2-enyl]-trimethylphosphanium
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benzyl 2-methyl-4-phenylbut-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenylprop-1-en-1-ol?
The IUPAC name of 1-amino-3-phenylprop-1-en-1-ol (CID 67202427) is 1-amino-3-phenylprop-1-en-1-ol.
What is the SMILES notation for 1-amino-3-phenylprop-1-en-1-ol?
The canonical SMILES for 1-amino-3-phenylprop-1-en-1-ol is NC(O)=CCc1ccccc1.
What is the InChIKey of 1-amino-3-phenylprop-1-en-1-ol?
The InChIKey is LIMAGECSJJXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7,11H,6,10H2.
What are the key properties of 1-amino-3-phenylprop-1-en-1-ol?
1-amino-3-phenylprop-1-en-1-ol has a molecular weight of 149.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenylprop-1-en-1-ol is sourced from PubChem (CID 67202427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).