(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine

C9H13NO2 — CID 138710993

IUPAC(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine
SMILESC/C=C\C1=C(/C=C/N)OCCO1
InChIInChI=1S/C9H13NO2/c1-2-3-8-9(4-5-10)12-7-6-11-8/h2-5H,6-7,10H2,1H3/b3-2-,5-4+
InChIKeyMZIKXOHCLLGEBV-AWYLAFAOSA-N
MW167.21 g/mol
LogP1.29
Rot. Bonds2

About (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine

(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine (PubChem CID 138710993) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine.

Molecular Properties

Compound Name(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine
PubChem CID138710993
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine
SMILESC/C=C\C1=C(/C=C/N)OCCO1
InChIInChI=1S/C9H13NO2/c1-2-3-8-9(4-5-10)12-7-6-11-8/h2-5H,6-7,10H2,1H3/b3-2-,5-4+
InChIKeyMZIKXOHCLLGEBV-AWYLAFAOSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,3E)-2-methoxy-3-(3-methoxypropoxy)hexa-1,3,5-trien-1-amine
CID 88274346
(1Z,3Z)-5-(3-methoxypropoxy)hexa-1,3,5-trien-1-amine
CID 88274497
(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine
CID 89143649
(1E,3E)-2-bromo-4-(2-methoxyethoxy)hexa-1,3,5-trien-1-amine
CID 89209093
2-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]oxyethanol
CID 89221837
(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine
CID 143700060
[(1Z,3E)-3-ethoxyhexa-1,3,5-trienyl]-hydroxyazanium
CID 144703328
ethane;(E)-[(3E)-3-(3-methylbut-2-enylidene)-1,4-dioxan-2-ylidene]methanamine
CID 145543307
ethane;(1E,3E)-2-ethoxy-3-methoxy-6-methylhepta-1,3,5-trien-1-amine
CID 145543393
3-propoxy-2H-pyran-2-amine
CID 149663602
(1Z,3Z,5E)-2,6-dimethoxyhepta-1,3,5-trien-1-amine
CID 153559740
(Z)-[(3E)-3-[(Z)-but-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
CID 170031018

Frequently Asked Questions

What is the IUPAC name of (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine?
The IUPAC name of (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine (CID 138710993) is (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine.
What is the SMILES notation for (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine?
The canonical SMILES for (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine is C/C=C\C1=C(/C=C/N)OCCO1.
What is the InChIKey of (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine?
The InChIKey is MZIKXOHCLLGEBV-AWYLAFAOSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-8-9(4-5-10)12-7-6-11-8/h2-5H,6-7,10H2,1H3/b3-2-,5-4+.
What are the key properties of (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine?
(E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine has a molecular weight of 167.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-5-yl]ethenamine is sourced from PubChem (CID 138710993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).