(3E,5Z)-9-aminonona-1,3,5-trien-4-ol

C9H15NO — CID 90222187

IUPAC(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C/CCCN
InChIInChI=1S/C9H15NO/c1-2-6-9(11)7-4-3-5-8-10/h2,4,6-7,11H,1,3,5,8,10H2/b7-4-,9-6+
InChIKeyKQTRWOZZUIJLES-WCXGJSBASA-N
MW153.22 g/mol
LogP1.91
Rot. Bonds5

About (3E,5Z)-9-aminonona-1,3,5-trien-4-ol

(3E,5Z)-9-aminonona-1,3,5-trien-4-ol (PubChem CID 90222187) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5Z)-9-aminonona-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
PubChem CID90222187
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C/CCCN
InChIInChI=1S/C9H15NO/c1-2-6-9(11)7-4-3-5-8-10/h2,4,6-7,11H,1,3,5,8,10H2/b7-4-,9-6+
InChIKeyKQTRWOZZUIJLES-WCXGJSBASA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-9-aminonona-1,3,5-trien-4-ol?
The IUPAC name of (3E,5Z)-9-aminonona-1,3,5-trien-4-ol (CID 90222187) is (3E,5Z)-9-aminonona-1,3,5-trien-4-ol.
What is the SMILES notation for (3E,5Z)-9-aminonona-1,3,5-trien-4-ol?
The canonical SMILES for (3E,5Z)-9-aminonona-1,3,5-trien-4-ol is C=C/C=C(O)\C=C/CCCN.
What is the InChIKey of (3E,5Z)-9-aminonona-1,3,5-trien-4-ol?
The InChIKey is KQTRWOZZUIJLES-WCXGJSBASA-N. The full InChI is InChI=1S/C9H15NO/c1-2-6-9(11)7-4-3-5-8-10/h2,4,6-7,11H,1,3,5,8,10H2/b7-4-,9-6+.
What are the key properties of (3E,5Z)-9-aminonona-1,3,5-trien-4-ol?
(3E,5Z)-9-aminonona-1,3,5-trien-4-ol has a molecular weight of 153.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-9-aminonona-1,3,5-trien-4-ol is sourced from PubChem (CID 90222187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).