(2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol

C8H13NO2 — CID 88554875

IUPAC(2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol
SMILESC=C(/C=C\C=C(/N)CO)CO
InChIInChI=1S/C8H13NO2/c1-7(5-10)3-2-4-8(9)6-11/h2-4,10-11H,1,5-6,9H2/b3-2-,8-4-
InChIKeyNCGDLZDWIHKFDM-BGRWSDHPSA-N
MW155.20 g/mol
LogP-0.07
Rot. Bonds4

About (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol

(2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol (PubChem CID 88554875) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol
PubChem CID88554875
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol
SMILESC=C(/C=C\C=C(/N)CO)CO
InChIInChI=1S/C8H13NO2/c1-7(5-10)3-2-4-8(9)6-11/h2-4,10-11H,1,5-6,9H2/b3-2-,8-4-
InChIKeyNCGDLZDWIHKFDM-BGRWSDHPSA-N
XLogP-0.07
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5,5-dimethyl-2-methylidenehept-3-en-1-ol
CID 143451353
(E)-2-methylidenehept-3-en-1-ol
CID 173423370
(3Z,5E)-6-methyl-2-methylideneocta-3,5,7-trien-1-amine
CID 143819016
(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine
CID 162606381
(Z)-2-aminobut-2-ene-1,4-diol
CID 58594730
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
2,6-dimethylhepta-2,4,6-trien-1-amine
CID 123608540
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
CID 144676255
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
(2Z,4Z)-1-phosphanylhepta-2,4,6-trien-2-amine
CID 89368942

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol?
The IUPAC name of (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol (CID 88554875) is (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol.
What is the SMILES notation for (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol?
The canonical SMILES for (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol is C=C(/C=C\C=C(/N)CO)CO.
What is the InChIKey of (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol?
The InChIKey is NCGDLZDWIHKFDM-BGRWSDHPSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(5-10)3-2-4-8(9)6-11/h2-4,10-11H,1,5-6,9H2/b3-2-,8-4-.
What are the key properties of (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol?
(2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol has a molecular weight of 155.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-6-methylidenehepta-2,4-diene-1,7-diol is sourced from PubChem (CID 88554875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).