7-aminohepta-4,6-diene-1,5-diol

C7H13NO2 — CID 173259562

IUPAC7-aminohepta-4,6-diene-1,5-diol
SMILESNC=CC(O)=CCCCO
InChIInChI=1S/C7H13NO2/c8-5-4-7(10)3-1-2-6-9/h3-5,9-10H,1-2,6,8H2
InChIKeyPLBXPJBMKGDJSQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.67
Rot. Bonds4

About 7-aminohepta-4,6-diene-1,5-diol

7-aminohepta-4,6-diene-1,5-diol (PubChem CID 173259562) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 7-aminohepta-4,6-diene-1,5-diol.

Molecular Properties

Compound Name7-aminohepta-4,6-diene-1,5-diol
PubChem CID173259562
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name7-aminohepta-4,6-diene-1,5-diol
SMILESNC=CC(O)=CCCCO
InChIInChI=1S/C7H13NO2/c8-5-4-7(10)3-1-2-6-9/h3-5,9-10H,1-2,6,8H2
InChIKeyPLBXPJBMKGDJSQ-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-aminohepta-4,6-diene-1,5-diol?
The IUPAC name of 7-aminohepta-4,6-diene-1,5-diol (CID 173259562) is 7-aminohepta-4,6-diene-1,5-diol.
What is the SMILES notation for 7-aminohepta-4,6-diene-1,5-diol?
The canonical SMILES for 7-aminohepta-4,6-diene-1,5-diol is NC=CC(O)=CCCCO.
What is the InChIKey of 7-aminohepta-4,6-diene-1,5-diol?
The InChIKey is PLBXPJBMKGDJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-5-4-7(10)3-1-2-6-9/h3-5,9-10H,1-2,6,8H2.
What are the key properties of 7-aminohepta-4,6-diene-1,5-diol?
7-aminohepta-4,6-diene-1,5-diol has a molecular weight of 143.19 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminohepta-4,6-diene-1,5-diol is sourced from PubChem (CID 173259562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).