(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene

C10H19NO — CID 142354278

IUPAC(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene
SMILESC=C.C=C/C(=C\C)[C@H](O)[C@H](C)N
InChIInChI=1S/C8H15NO.C2H4/c1-4-7(5-2)8(10)6(3)9;1-2/h4-6,8,10H,1,9H2,2-3H3;1-2H2/b7-5+;/t6-,8+;/m0./s1
InChIKeyHIBWVSFPUCGRHO-WTZKYOJSSA-N
MW169.27 g/mol
LogP1.63
Rot. Bonds3

About (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene

(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene (PubChem CID 142354278) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene.

Molecular Properties

Compound Name(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene
PubChem CID142354278
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene
SMILESC=C.C=C/C(=C\C)[C@H](O)[C@H](C)N
InChIInChI=1S/C8H15NO.C2H4/c1-4-7(5-2)8(10)6(3)9;1-2/h4-6,8,10H,1,9H2,2-3H3;1-2H2/b7-5+;/t6-,8+;/m0./s1
InChIKeyHIBWVSFPUCGRHO-WTZKYOJSSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene?
The IUPAC name of (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene (CID 142354278) is (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene.
What is the SMILES notation for (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene?
The canonical SMILES for (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene is C=C.C=C/C(=C\C)[C@H](O)[C@H](C)N.
What is the InChIKey of (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene?
The InChIKey is HIBWVSFPUCGRHO-WTZKYOJSSA-N. The full InChI is InChI=1S/C8H15NO.C2H4/c1-4-7(5-2)8(10)6(3)9;1-2/h4-6,8,10H,1,9H2,2-3H3;1-2H2/b7-5+;/t6-,8+;/m0./s1.
What are the key properties of (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene?
(E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene has a molecular weight of 169.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-2-amino-4-ethenylhex-4-en-3-ol;ethene is sourced from PubChem (CID 142354278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).