4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine

C14H25NO2 — CID 3129768

IUPAC4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine
SMILESC=C(C)C1CCC(C)OC1CN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-11(2)13-5-4-12(3)17-14(13)10-15-6-8-16-9-7-15/h12-14H,1,4-10H2,2-3H3
InChIKeyMICUGXWKYVNMTG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.08
Rot. Bonds3

About 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine

4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine (PubChem CID 3129768) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine
PubChem CID3129768
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine
SMILESC=C(C)C1CCC(C)OC1CN1CCOCC1
InChIInChI=1S/C14H25NO2/c1-11(2)13-5-4-12(3)17-14(13)10-15-6-8-16-9-7-15/h12-14H,1,4-10H2,2-3H3
InChIKeyMICUGXWKYVNMTG-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
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 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine?
The IUPAC name of 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine (CID 3129768) is 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine is C=C(C)C1CCC(C)OC1CN1CCOCC1.
What is the InChIKey of 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine?
The InChIKey is MICUGXWKYVNMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)13-5-4-12(3)17-14(13)10-15-6-8-16-9-7-15/h12-14H,1,4-10H2,2-3H3.
What are the key properties of 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine?
4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine has a molecular weight of 239.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine is sourced from PubChem (CID 3129768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).