(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol

C9H15NO2 — CID 146408950

IUPAC(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol
SMILESC=C(/C=C\C(O)=C(/C)O)CCN
InChIInChI=1S/C9H15NO2/c1-7(5-6-10)3-4-9(12)8(2)11/h3-4,11-12H,1,5-6,10H2,2H3/b4-3-,9-8-
InChIKeyIGGCWWBGYDNIRA-JYKTZQBOSA-N
MW169.22 g/mol
LogP1.80
Rot. Bonds4

About (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol

(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol (PubChem CID 146408950) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol.

Molecular Properties

Compound Name(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol
PubChem CID146408950
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol
SMILESC=C(/C=C\C(O)=C(/C)O)CCN
InChIInChI=1S/C9H15NO2/c1-7(5-6-10)3-4-9(12)8(2)11/h3-4,11-12H,1,5-6,10H2,2H3/b4-3-,9-8-
InChIKeyIGGCWWBGYDNIRA-JYKTZQBOSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.80
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 (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol?
The IUPAC name of (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol (CID 146408950) is (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol.
What is the SMILES notation for (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol?
The canonical SMILES for (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol is C=C(/C=C\C(O)=C(/C)O)CCN.
What is the InChIKey of (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol?
The InChIKey is IGGCWWBGYDNIRA-JYKTZQBOSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(5-6-10)3-4-9(12)8(2)11/h3-4,11-12H,1,5-6,10H2,2H3/b4-3-,9-8-.
What are the key properties of (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol?
(2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol has a molecular weight of 169.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-8-amino-6-methylideneocta-2,4-diene-2,3-diol is sourced from PubChem (CID 146408950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).