(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol

C8H15NO2 — CID 89185801

IUPAC(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
SMILESCC/C(O)=C(O)\C=C(/C)CN
InChIInChI=1S/C8H15NO2/c1-3-7(10)8(11)4-6(2)5-9/h4,10-11H,3,5,9H2,1-2H3/b6-4+,8-7-
InChIKeyIIHDBBDPFPDBEW-AQXDOAQYSA-N
MW157.21 g/mol
LogP1.63
Rot. Bonds3

About (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol

(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol (PubChem CID 89185801) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol.

Molecular Properties

Compound Name(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
PubChem CID89185801
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
SMILESCC/C(O)=C(O)\C=C(/C)CN
InChIInChI=1S/C8H15NO2/c1-3-7(10)8(11)4-6(2)5-9/h4,10-11H,3,5,9H2,1-2H3/b6-4+,8-7-
InChIKeyIIHDBBDPFPDBEW-AQXDOAQYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.63
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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Related Compounds

(1E,3E)-1-amino-5-methylhexa-1,3,5-triene-2,3-diol
CID 88586817
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
6-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 89044123
(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol
CID 89044202
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol
CID 130470797
(2E,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 137393695
(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol
CID 139506611
(3Z)-5-(aminomethyl)hexa-1,3,5-trien-2-ol;ethane
CID 141936633
(3Z)-5-(aminomethyl)hexa-1,3,5-trien-2-ol
CID 141936634

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol?
The IUPAC name of (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol (CID 89185801) is (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol.
What is the SMILES notation for (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol?
The canonical SMILES for (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol is CC/C(O)=C(O)\C=C(/C)CN.
What is the InChIKey of (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol?
The InChIKey is IIHDBBDPFPDBEW-AQXDOAQYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7(10)8(11)4-6(2)5-9/h4,10-11H,3,5,9H2,1-2H3/b6-4+,8-7-.
What are the key properties of (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol?
(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol has a molecular weight of 157.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol is sourced from PubChem (CID 89185801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).