(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine

C9H15NO — CID 89132007

IUPAC(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine
SMILESC=C(/C=C/CCC)O/C=C\N
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9(2)11-8-7-10/h5-8H,2-4,10H2,1H3/b6-5+,8-7-
InChIKeyXRXSIBPEWJMHPF-MDAAKZFYSA-N
MW153.22 g/mol
LogP2.30
Rot. Bonds5

About (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine

(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine (PubChem CID 89132007) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine.

Molecular Properties

Compound Name(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine
PubChem CID89132007
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine
SMILESC=C(/C=C/CCC)O/C=C\N
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9(2)11-8-7-10/h5-8H,2-4,10H2,1H3/b6-5+,8-7-
InChIKeyXRXSIBPEWJMHPF-MDAAKZFYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine?
The IUPAC name of (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine (CID 89132007) is (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine.
What is the SMILES notation for (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine?
The canonical SMILES for (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine is C=C(/C=C/CCC)O/C=C\N.
What is the InChIKey of (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine?
The InChIKey is XRXSIBPEWJMHPF-MDAAKZFYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-6-9(2)11-8-7-10/h5-8H,2-4,10H2,1H3/b6-5+,8-7-.
What are the key properties of (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine?
(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine has a molecular weight of 153.22 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine is sourced from PubChem (CID 89132007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).