(5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol

C12H19NO2 — CID 130413060

IUPAC(5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol
SMILESC=C(O)C(C)(N)C/C=C/C(O)=C\C=C/C
InChIInChI=1S/C12H19NO2/c1-4-5-7-11(15)8-6-9-12(3,13)10(2)14/h4-8,14-15H,2,9,13H2,1,3H3/b5-4-,8-6+,11-7+
InChIKeySLTDQNZWGQYJRK-GRUYCUFNSA-N
MW209.29 g/mol
LogP2.74
Rot. Bonds5

About (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol

(5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol (PubChem CID 130413060) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol.

Molecular Properties

Compound Name(5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol
PubChem CID130413060
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol
SMILESC=C(O)C(C)(N)C/C=C/C(O)=C\C=C/C
InChIInChI=1S/C12H19NO2/c1-4-5-7-11(15)8-6-9-12(3,13)10(2)14/h4-8,14-15H,2,9,13H2,1,3H3/b5-4-,8-6+,11-7+
InChIKeySLTDQNZWGQYJRK-GRUYCUFNSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol?
The IUPAC name of (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol (CID 130413060) is (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol.
What is the SMILES notation for (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol?
The canonical SMILES for (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol is C=C(O)C(C)(N)C/C=C/C(O)=C\C=C/C.
What is the InChIKey of (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol?
The InChIKey is SLTDQNZWGQYJRK-GRUYCUFNSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-5-7-11(15)8-6-9-12(3,13)10(2)14/h4-8,14-15H,2,9,13H2,1,3H3/b5-4-,8-6+,11-7+.
What are the key properties of (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol?
(5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol has a molecular weight of 209.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9Z)-3-amino-3-methylundeca-1,5,7,9-tetraene-2,7-diol is sourced from PubChem (CID 130413060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).