2-amino-2-phenylpent-4-en-1-ol

C11H15NO — CID 10464867

IUPAC2-amino-2-phenylpent-4-en-1-ol
SMILESC=CCC(N)(CO)c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-8-11(12,9-13)10-6-4-3-5-7-10/h2-7,13H,1,8-9,12H2
InChIKeyWVFPKLZSRJQPQR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-2-phenylpent-4-en-1-ol

2-amino-2-phenylpent-4-en-1-ol (PubChem CID 10464867) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-2-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name2-amino-2-phenylpent-4-en-1-ol
PubChem CID10464867
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-2-phenylpent-4-en-1-ol
SMILESC=CCC(N)(CO)c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-8-11(12,9-13)10-6-4-3-5-7-10/h2-7,13H,1,8-9,12H2
InChIKeyWVFPKLZSRJQPQR-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.41
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

1-phenylbut-3-ene-1,1-diol
CID 134892936
2-amino-2-phenylpentan-1-ol
CID 61056433
1,1-diphenylpent-4-en-1-amine
CID 102295553
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
4-phenylhepta-1,6-diene-4-sulfonamide
CID 174876491
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 102246332
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylpent-4-en-1-ol?
The IUPAC name of 2-amino-2-phenylpent-4-en-1-ol (CID 10464867) is 2-amino-2-phenylpent-4-en-1-ol.
What is the SMILES notation for 2-amino-2-phenylpent-4-en-1-ol?
The canonical SMILES for 2-amino-2-phenylpent-4-en-1-ol is C=CCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylpent-4-en-1-ol?
The InChIKey is WVFPKLZSRJQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-11(12,9-13)10-6-4-3-5-7-10/h2-7,13H,1,8-9,12H2.
What are the key properties of 2-amino-2-phenylpent-4-en-1-ol?
2-amino-2-phenylpent-4-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylpent-4-en-1-ol is sourced from PubChem (CID 10464867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).