(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol

C7H11NO — CID 158876473

IUPAC(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol
SMILESC/C=C/C=C(O)\C=C/N
InChIInChI=1S/C7H11NO/c1-2-3-4-7(9)5-6-8/h2-6,9H,8H2,1H3/b3-2+,6-5-,7-4+
InChIKeyJCMNNWGEBCLGSD-WGIXWNTESA-N
MW125.17 g/mol
LogP1.48
Rot. Bonds2

About (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol

(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol (PubChem CID 158876473) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol
PubChem CID158876473
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol
SMILESC/C=C/C=C(O)\C=C/N
InChIInChI=1S/C7H11NO/c1-2-3-4-7(9)5-6-8/h2-6,9H,8H2,1H3/b3-2+,6-5-,7-4+
InChIKeyJCMNNWGEBCLGSD-WGIXWNTESA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

1H-azepin-4-ol
CID 19710549
(3E,5Z)-6-amino-4-methylhexa-1,3,5-trien-3-ol
CID 88560254
CID 89050098
CID 89050098
(2E,4E,6E)-7-amino-5-chlorohepta-2,4,6-trien-2-ol
CID 89060582
(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol
CID 89205385
(1Z,3E)-1-amino-4-methylhexa-1,3,5-trien-3-ol
CID 89344463
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-3-ol
CID 89381406
(2E,4Z)-6-aminohexa-2,4-dien-3-ol
CID 89546379
(1Z,3E)-1-amino-5-iodopenta-1,3-dien-3-ol
CID 117707009
(2E,4E,6E)-7-amino-5-bromohepta-2,4,6-trien-2-ol
CID 117859344
(2E,4Z)-5-(methylamino)penta-2,4-dien-2-ol
CID 129289034
(1Z)-4-methyl-1-(methylamino)penta-1,3-dien-3-ol
CID 134485288

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol?
The IUPAC name of (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol (CID 158876473) is (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol.
What is the SMILES notation for (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol?
The canonical SMILES for (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol is C/C=C/C=C(O)\C=C/N.
What is the InChIKey of (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol?
The InChIKey is JCMNNWGEBCLGSD-WGIXWNTESA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-7(9)5-6-8/h2-6,9H,8H2,1H3/b3-2+,6-5-,7-4+.
What are the key properties of (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol?
(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol has a molecular weight of 125.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol is sourced from PubChem (CID 158876473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).