(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol

C11H19NO3 — CID 174314739

IUPAC(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol
SMILESC=C(/C=C\C(O)=C(/C)OC)CC(O)CN
InChIInChI=1S/C11H19NO3/c1-8(6-10(13)7-12)4-5-11(14)9(2)15-3/h4-5,10,13-14H,1,6-7,12H2,2-3H3/b5-4-,11-9-
InChIKeyPXOZKCUFPJDAOW-JXWPTCDWSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds6

About (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol

(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol (PubChem CID 174314739) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol.

Molecular Properties

Compound Name(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol
PubChem CID174314739
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol
SMILESC=C(/C=C\C(O)=C(/C)OC)CC(O)CN
InChIInChI=1S/C11H19NO3/c1-8(6-10(13)7-12)4-5-11(14)9(2)15-3/h4-5,10,13-14H,1,6-7,12H2,2-3H3/b5-4-,11-9-
InChIKeyPXOZKCUFPJDAOW-JXWPTCDWSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol?
The IUPAC name of (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol (CID 174314739) is (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol.
What is the SMILES notation for (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol?
The canonical SMILES for (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol is C=C(/C=C\C(O)=C(/C)OC)CC(O)CN.
What is the InChIKey of (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol?
The InChIKey is PXOZKCUFPJDAOW-JXWPTCDWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(6-10(13)7-12)4-5-11(14)9(2)15-3/h4-5,10,13-14H,1,6-7,12H2,2-3H3/b5-4-,11-9-.
What are the key properties of (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol?
(5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol has a molecular weight of 213.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-1-amino-8-methoxy-4-methylidenenona-5,7-diene-2,7-diol is sourced from PubChem (CID 174314739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).