(2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol

C9H17NO2 — CID 89064352

IUPAC(2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol
SMILESCC/C(O)=C\C=C\C[C@H](N)CO
InChIInChI=1S/C9H17NO2/c1-2-9(12)6-4-3-5-8(10)7-11/h3-4,6,8,11-12H,2,5,7,10H2,1H3/b4-3+,9-6+/t8-/m0/s1
InChIKeyDOHPZWMVTRNMJY-WWRSIQAKSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol

(2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol (PubChem CID 89064352) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol.

Molecular Properties

Compound Name(2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol
PubChem CID89064352
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol
SMILESCC/C(O)=C\C=C\C[C@H](N)CO
InChIInChI=1S/C9H17NO2/c1-2-9(12)6-4-3-5-8(10)7-11/h3-4,6,8,11-12H,2,5,7,10H2,1H3/b4-3+,9-6+/t8-/m0/s1
InChIKeyDOHPZWMVTRNMJY-WWRSIQAKSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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'}

Analyze (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol?
The IUPAC name of (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol (CID 89064352) is (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol.
What is the SMILES notation for (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol?
The canonical SMILES for (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol is CC/C(O)=C\C=C\C[C@H](N)CO.
What is the InChIKey of (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol?
The InChIKey is DOHPZWMVTRNMJY-WWRSIQAKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(12)6-4-3-5-8(10)7-11/h3-4,6,8,11-12H,2,5,7,10H2,1H3/b4-3+,9-6+/t8-/m0/s1.
What are the key properties of (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol?
(2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E,6E)-2-aminonona-4,6-diene-1,7-diol is sourced from PubChem (CID 89064352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).