(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile

C11H11NO — CID 11052128

IUPAC(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
SMILESN#CC[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H11NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-7,11,13H,8H2/b7-6+/t11-/m1/s1
InChIKeyWEHZRPSWGSRWCV-XUIVZRPNSA-N
MW173.22 g/mol
LogP1.97
Rot. Bonds3

About (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile

(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile (PubChem CID 11052128) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile.

Molecular Properties

Compound Name(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
PubChem CID11052128
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
SMILESN#CC[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H11NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-7,11,13H,8H2/b7-6+/t11-/m1/s1
InChIKeyWEHZRPSWGSRWCV-XUIVZRPNSA-N
XLogP1.97
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E,3R)-1-phenylhex-1-en-5-yn-3-ol
CID 11041183
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145
CID 11424718
CID 11424718
3-phenylprop-2-ene-1,1-diol
CID 54432533
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
1-phenylpent-1-en-4-yn-3-ol
CID 570771
(2Z,5S,6E)-5-hydroxy-7-phenylhepta-2,6-dienoic acid
CID 162860051
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile?
The IUPAC name of (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile (CID 11052128) is (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile.
What is the SMILES notation for (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile?
The canonical SMILES for (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile is N#CC[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile?
The InChIKey is WEHZRPSWGSRWCV-XUIVZRPNSA-N. The full InChI is InChI=1S/C11H11NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-7,11,13H,8H2/b7-6+/t11-/m1/s1.
What are the key properties of (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile?
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile has a molecular weight of 173.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-hydroxy-5-phenylpent-4-enenitrile is sourced from PubChem (CID 11052128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).