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

C8H13NO — CID 89131837

IUPAC(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
SMILESC=C(/C=C/CC)O/C=C\N
InChIInChI=1S/C8H13NO/c1-3-4-5-8(2)10-7-6-9/h4-7H,2-3,9H2,1H3/b5-4+,7-6-
InChIKeyWLNZIFGBXCTTLB-DEQVHDEQSA-N
MW139.20 g/mol
LogP1.91
Rot. Bonds4

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

(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine (PubChem CID 89131837) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine.

Molecular Properties

Compound Name(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
PubChem CID89131837
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
SMILESC=C(/C=C/CC)O/C=C\N
InChIInChI=1S/C8H13NO/c1-3-4-5-8(2)10-7-6-9/h4-7H,2-3,9H2,1H3/b5-4+,7-6-
InChIKeyWLNZIFGBXCTTLB-DEQVHDEQSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.91
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)-hexa-1,3-dien-2-yl]oxyethenamine?
The IUPAC name of (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine (CID 89131837) is (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine.
What is the SMILES notation for (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine?
The canonical SMILES for (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine is C=C(/C=C/CC)O/C=C\N.
What is the InChIKey of (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine?
The InChIKey is WLNZIFGBXCTTLB-DEQVHDEQSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-8(2)10-7-6-9/h4-7H,2-3,9H2,1H3/b5-4+,7-6-.
What are the key properties of (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine?
(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine has a molecular weight of 139.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine is sourced from PubChem (CID 89131837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).