3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine

C13H23NO2 — CID 103143073

IUPAC3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine
SMILESC/C(=C/C1CCC(C)O1)CC1COCCN1
InChIInChI=1S/C13H23NO2/c1-10(7-12-9-15-6-5-14-12)8-13-4-3-11(2)16-13/h8,11-14H,3-7,9H2,1-2H3/b10-8-
InChIKeyXVSHDJRBABNSSJ-NTMALXAHSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds3

About 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine

3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine (PubChem CID 103143073) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine
PubChem CID103143073
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine
SMILESC/C(=C/C1CCC(C)O1)CC1COCCN1
InChIInChI=1S/C13H23NO2/c1-10(7-12-9-15-6-5-14-12)8-13-4-3-11(2)16-13/h8,11-14H,3-7,9H2,1-2H3/b10-8-
InChIKeyXVSHDJRBABNSSJ-NTMALXAHSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine?
The IUPAC name of 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine (CID 103143073) is 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine.
What is the SMILES notation for 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine?
The canonical SMILES for 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine is C/C(=C/C1CCC(C)O1)CC1COCCN1.
What is the InChIKey of 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine?
The InChIKey is XVSHDJRBABNSSJ-NTMALXAHSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(7-12-9-15-6-5-14-12)8-13-4-3-11(2)16-13/h8,11-14H,3-7,9H2,1-2H3/b10-8-.
What are the key properties of 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine?
3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine has a molecular weight of 225.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine is sourced from PubChem (CID 103143073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).