(2E,4E)-7-aminohepta-2,4-dien-1-ol

C7H13NO — CID 102305339

IUPAC(2E,4E)-7-aminohepta-2,4-dien-1-ol
SMILESNCC/C=C/C=C/CO
InChIInChI=1S/C7H13NO/c8-6-4-2-1-3-5-7-9/h1-3,5,9H,4,6-8H2/b2-1+,5-3+
InChIKeyOGOYRZYPYJUEFP-NRNIAZNESA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds4

About (2E,4E)-7-aminohepta-2,4-dien-1-ol

(2E,4E)-7-aminohepta-2,4-dien-1-ol (PubChem CID 102305339) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4E)-7-aminohepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-7-aminohepta-2,4-dien-1-ol
PubChem CID102305339
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4E)-7-aminohepta-2,4-dien-1-ol
SMILESNCC/C=C/C=C/CO
InChIInChI=1S/C7H13NO/c8-6-4-2-1-3-5-7-9/h1-3,5,9H,4,6-8H2/b2-1+,5-3+
InChIKeyOGOYRZYPYJUEFP-NRNIAZNESA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
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 (2E,4E)-7-aminohepta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-7-aminohepta-2,4-dien-1-ol (CID 102305339) is (2E,4E)-7-aminohepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-7-aminohepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-7-aminohepta-2,4-dien-1-ol is NCC/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-7-aminohepta-2,4-dien-1-ol?
The InChIKey is OGOYRZYPYJUEFP-NRNIAZNESA-N. The full InChI is InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7-9/h1-3,5,9H,4,6-8H2/b2-1+,5-3+.
What are the key properties of (2E,4E)-7-aminohepta-2,4-dien-1-ol?
(2E,4E)-7-aminohepta-2,4-dien-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-aminohepta-2,4-dien-1-ol is sourced from PubChem (CID 102305339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).