(2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol

C7H11NO — CID 87430252

IUPAC(2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol
SMILESC=C(N)/C=C\C=C/CO
InChIInChI=1S/C7H11NO/c1-7(8)5-3-2-4-6-9/h2-5,9H,1,6,8H2/b4-2-,5-3-
InChIKeyZCUNYMROFXZNIQ-JVLMNHKTSA-N
MW125.17 g/mol
LogP0.56
Rot. Bonds3

About (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol

(2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol (PubChem CID 87430252) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol
PubChem CID87430252
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol
SMILESC=C(N)/C=C\C=C/CO
InChIInChI=1S/C7H11NO/c1-7(8)5-3-2-4-6-9/h2-5,9H,1,6,8H2/b4-2-,5-3-
InChIKeyZCUNYMROFXZNIQ-JVLMNHKTSA-N
XLogP0.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol (CID 87430252) is (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol is C=C(N)/C=C\C=C/CO.
What is the InChIKey of (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol?
The InChIKey is ZCUNYMROFXZNIQ-JVLMNHKTSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(8)5-3-2-4-6-9/h2-5,9H,1,6,8H2/b4-2-,5-3-.
What are the key properties of (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol?
(2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-aminohepta-2,4,6-trien-1-ol is sourced from PubChem (CID 87430252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).