2-ethenyl-5-methylideneoxan-3-amine

C8H13NO — CID 123404644

IUPAC2-ethenyl-5-methylideneoxan-3-amine
SMILESC=CC1OCC(=C)CC1N
InChIInChI=1S/C8H13NO/c1-3-8-7(9)4-6(2)5-10-8/h3,7-8H,1-2,4-5,9H2
InChIKeyOUJBEKHIBGZWEO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds1

About 2-ethenyl-5-methylideneoxan-3-amine

2-ethenyl-5-methylideneoxan-3-amine (PubChem CID 123404644) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethenyl-5-methylideneoxan-3-amine.

Molecular Properties

Compound Name2-ethenyl-5-methylideneoxan-3-amine
PubChem CID123404644
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethenyl-5-methylideneoxan-3-amine
SMILESC=CC1OCC(=C)CC1N
InChIInChI=1S/C8H13NO/c1-3-8-7(9)4-6(2)5-10-8/h3,7-8H,1-2,4-5,9H2
InChIKeyOUJBEKHIBGZWEO-UHFFFAOYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-(2R,4R)-2-ethenyloxan-4-amine
CID 137951654
2-[(E)-oct-1-enyl]oxan-3-amine
CID 21753848
2-Methyl-5-methylideneoxan-3-amine
CID 91189473
(2R,3S)-2-methyl-5-methylideneoxan-3-amine
CID 129045574
(3S)-5-methylideneoxan-3-amine
CID 140663394
(2R)-2-methyl-5-methylideneoxan-3-amine
CID 143571364
rac-(2R,3S)-2-ethenyloxan-3-amine hydrochloride
CID 121552623
rac-(2R,3S)-2-ethenyloxan-3-amine
CID 121552624
2-Ethenyloxan-3-amine hydrochloride
CID 122236366
2-Ethenyloxan-3-amine
CID 122236367
(2S,3S)-2-ethenyloxan-3-amine
CID 124709869
(2R,3S)-2-ethenyloxan-3-amine
CID 124709870

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methylideneoxan-3-amine?
The IUPAC name of 2-ethenyl-5-methylideneoxan-3-amine (CID 123404644) is 2-ethenyl-5-methylideneoxan-3-amine.
What is the SMILES notation for 2-ethenyl-5-methylideneoxan-3-amine?
The canonical SMILES for 2-ethenyl-5-methylideneoxan-3-amine is C=CC1OCC(=C)CC1N.
What is the InChIKey of 2-ethenyl-5-methylideneoxan-3-amine?
The InChIKey is OUJBEKHIBGZWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8-7(9)4-6(2)5-10-8/h3,7-8H,1-2,4-5,9H2.
What are the key properties of 2-ethenyl-5-methylideneoxan-3-amine?
2-ethenyl-5-methylideneoxan-3-amine has a molecular weight of 139.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methylideneoxan-3-amine is sourced from PubChem (CID 123404644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).