(3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol

C10H19NO2 — CID 144978881

IUPAC(3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol
SMILESCC/C=C(O)\C(O)=C/C(C)CCN
InChIInChI=1S/C10H19NO2/c1-3-4-9(12)10(13)7-8(2)5-6-11/h4,7-8,12-13H,3,5-6,11H2,1-2H3/b9-4+,10-7+
InChIKeyRCNLRDQCLLOKSC-SXFWLWNESA-N
MW185.27 g/mol
LogP2.27
Rot. Bonds5

About (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol

(3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol (PubChem CID 144978881) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol.

Molecular Properties

Compound Name(3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol
PubChem CID144978881
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol
SMILESCC/C=C(O)\C(O)=C/C(C)CCN
InChIInChI=1S/C10H19NO2/c1-3-4-9(12)10(13)7-8(2)5-6-11/h4,7-8,12-13H,3,5-6,11H2,1-2H3/b9-4+,10-7+
InChIKeyRCNLRDQCLLOKSC-SXFWLWNESA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.27
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 (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-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 (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol?
The IUPAC name of (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol (CID 144978881) is (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol.
What is the SMILES notation for (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol?
The canonical SMILES for (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol is CC/C=C(O)\C(O)=C/C(C)CCN.
What is the InChIKey of (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol?
The InChIKey is RCNLRDQCLLOKSC-SXFWLWNESA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-9(12)10(13)7-8(2)5-6-11/h4,7-8,12-13H,3,5-6,11H2,1-2H3/b9-4+,10-7+.
What are the key properties of (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol?
(3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol has a molecular weight of 185.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-9-amino-7-methylnona-3,5-diene-4,5-diol is sourced from PubChem (CID 144978881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).