(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol

C10H15NO — CID 130295711

IUPAC(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol
SMILESC=C/C=C\C=C(/C=C)C(O)CN
InChIInChI=1S/C10H15NO/c1-3-5-6-7-9(4-2)10(12)8-11/h3-7,10,12H,1-2,8,11H2/b6-5-,9-7+
InChIKeySBANXDGASZZNEO-BZWSEGBZSA-N
MW165.24 g/mol
LogP1.16
Rot. Bonds5

About (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol

(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol (PubChem CID 130295711) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol
PubChem CID130295711
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol
SMILESC=C/C=C\C=C(/C=C)C(O)CN
InChIInChI=1S/C10H15NO/c1-3-5-6-7-9(4-2)10(12)8-11/h3-7,10,12H,1-2,8,11H2/b6-5-,9-7+
InChIKeySBANXDGASZZNEO-BZWSEGBZSA-N
XLogP1.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol?
The IUPAC name of (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol (CID 130295711) is (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol.
What is the SMILES notation for (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol?
The canonical SMILES for (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol is C=C/C=C\C=C(/C=C)C(O)CN.
What is the InChIKey of (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol?
The InChIKey is SBANXDGASZZNEO-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-6-7-9(4-2)10(12)8-11/h3-7,10,12H,1-2,8,11H2/b6-5-,9-7+.
What are the key properties of (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol?
(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol is sourced from PubChem (CID 130295711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).