(3Z,5E)-6-aminohepta-3,5-dien-2-ol

C7H13NO — CID 88565279

IUPAC(3Z,5E)-6-aminohepta-3,5-dien-2-ol
SMILESC/C(N)=C\C=C/C(C)O
InChIInChI=1S/C7H13NO/c1-6(8)4-3-5-7(2)9/h3-5,7,9H,8H2,1-2H3/b5-3-,6-4+
InChIKeyIEJWJBXVTAFDNZ-CIIODKQPSA-N
MW127.19 g/mol
LogP0.79
Rot. Bonds2

About (3Z,5E)-6-aminohepta-3,5-dien-2-ol

(3Z,5E)-6-aminohepta-3,5-dien-2-ol (PubChem CID 88565279) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3Z,5E)-6-aminohepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-6-aminohepta-3,5-dien-2-ol
PubChem CID88565279
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3Z,5E)-6-aminohepta-3,5-dien-2-ol
SMILESC/C(N)=C\C=C/C(C)O
InChIInChI=1S/C7H13NO/c1-6(8)4-3-5-7(2)9/h3-5,7,9H,8H2,1-2H3/b5-3-,6-4+
InChIKeyIEJWJBXVTAFDNZ-CIIODKQPSA-N
XLogP0.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E)-6-aminohepta-3,5-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-aminohepta-3,5-dien-2-ol?
The IUPAC name of (3Z,5E)-6-aminohepta-3,5-dien-2-ol (CID 88565279) is (3Z,5E)-6-aminohepta-3,5-dien-2-ol.
What is the SMILES notation for (3Z,5E)-6-aminohepta-3,5-dien-2-ol?
The canonical SMILES for (3Z,5E)-6-aminohepta-3,5-dien-2-ol is C/C(N)=C\C=C/C(C)O.
What is the InChIKey of (3Z,5E)-6-aminohepta-3,5-dien-2-ol?
The InChIKey is IEJWJBXVTAFDNZ-CIIODKQPSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(8)4-3-5-7(2)9/h3-5,7,9H,8H2,1-2H3/b5-3-,6-4+.
What are the key properties of (3Z,5E)-6-aminohepta-3,5-dien-2-ol?
(3Z,5E)-6-aminohepta-3,5-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-aminohepta-3,5-dien-2-ol is sourced from PubChem (CID 88565279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).