1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine

C11H17NO2 — CID 142260505

IUPAC1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
SMILESC=CC1=C(/C=C\C)OCC(CNC)O1
InChIInChI=1S/C11H17NO2/c1-4-6-11-10(5-2)14-9(7-12-3)8-13-11/h4-6,9,12H,2,7-8H2,1,3H3/b6-4-
InChIKeyJNXIRQPVABUHCA-XQRVVYSFSA-N
MW195.26 g/mol
LogP1.59
Rot. Bonds4

About 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine

1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine (PubChem CID 142260505) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
PubChem CID142260505
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
SMILESC=CC1=C(/C=C\C)OCC(CNC)O1
InChIInChI=1S/C11H17NO2/c1-4-6-11-10(5-2)14-9(7-12-3)8-13-11/h4-6,9,12H,2,7-8H2,1,3H3/b6-4-
InChIKeyJNXIRQPVABUHCA-XQRVVYSFSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
CID 156791644
5,6-bis(ethenyl)-2-methyl-2,3-dihydro-1,4-dioxine
CID 142091973
but-1-ene;ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-dioxepine;propane
CID 177189450
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 155711315
5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 146396950
3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 89247388
ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine
CID 142220898
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane
CID 142071064
N-methyl-1-[(3S)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 66900146
5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine
CID 143496598
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510

Frequently Asked Questions

What is the IUPAC name of 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine (CID 142260505) is 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine is C=CC1=C(/C=C\C)OCC(CNC)O1.
What is the InChIKey of 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine?
The InChIKey is JNXIRQPVABUHCA-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-11-10(5-2)14-9(7-12-3)8-13-11/h4-6,9,12H,2,7-8H2,1,3H3/b6-4-.
What are the key properties of 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine?
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 142260505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).