(2E,4Z)-7-aminohepta-2,4-dien-3-ol

C7H13NO — CID 135251476

IUPAC(2E,4Z)-7-aminohepta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/CCN
InChIInChI=1S/C7H13NO/c1-2-7(9)5-3-4-6-8/h2-3,5,9H,4,6,8H2,1H3/b5-3-,7-2+
InChIKeyIDDGNEBCFQFYDV-HLJKCGKSSA-N
MW127.19 g/mol
LogP1.35
Rot. Bonds3

About (2E,4Z)-7-aminohepta-2,4-dien-3-ol

(2E,4Z)-7-aminohepta-2,4-dien-3-ol (PubChem CID 135251476) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4Z)-7-aminohepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-7-aminohepta-2,4-dien-3-ol
PubChem CID135251476
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4Z)-7-aminohepta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/CCN
InChIInChI=1S/C7H13NO/c1-2-7(9)5-3-4-6-8/h2-3,5,9H,4,6,8H2,1H3/b5-3-,7-2+
InChIKeyIDDGNEBCFQFYDV-HLJKCGKSSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.35
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7-aminohepta-2,4-dien-3-ol?
The IUPAC name of (2E,4Z)-7-aminohepta-2,4-dien-3-ol (CID 135251476) is (2E,4Z)-7-aminohepta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4Z)-7-aminohepta-2,4-dien-3-ol?
The canonical SMILES for (2E,4Z)-7-aminohepta-2,4-dien-3-ol is C/C=C(O)\C=C/CCN.
What is the InChIKey of (2E,4Z)-7-aminohepta-2,4-dien-3-ol?
The InChIKey is IDDGNEBCFQFYDV-HLJKCGKSSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(9)5-3-4-6-8/h2-3,5,9H,4,6,8H2,1H3/b5-3-,7-2+.
What are the key properties of (2E,4Z)-7-aminohepta-2,4-dien-3-ol?
(2E,4Z)-7-aminohepta-2,4-dien-3-ol has a molecular weight of 127.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7-aminohepta-2,4-dien-3-ol is sourced from PubChem (CID 135251476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).