4-prop-1-en-2-ylmorpholine

C7H13NO — CID 12570654

IUPAC4-prop-1-en-2-ylmorpholine
SMILESC=C(C)N1CCOCC1
InChIInChI=1S/C7H13NO/c1-7(2)8-3-5-9-6-4-8/h1,3-6H2,2H3
InChIKeyALTHQTNZTJKVKU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds1

About 4-prop-1-en-2-ylmorpholine

4-prop-1-en-2-ylmorpholine (PubChem CID 12570654) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-prop-1-en-2-ylmorpholine.

Molecular Properties

Compound Name4-prop-1-en-2-ylmorpholine
PubChem CID12570654
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-prop-1-en-2-ylmorpholine
SMILESC=C(C)N1CCOCC1
InChIInChI=1S/C7H13NO/c1-7(2)8-3-5-9-6-4-8/h1,3-6H2,2H3
InChIKeyALTHQTNZTJKVKU-UHFFFAOYSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylmorpholine?
The IUPAC name of 4-prop-1-en-2-ylmorpholine (CID 12570654) is 4-prop-1-en-2-ylmorpholine.
What is the SMILES notation for 4-prop-1-en-2-ylmorpholine?
The canonical SMILES for 4-prop-1-en-2-ylmorpholine is C=C(C)N1CCOCC1.
What is the InChIKey of 4-prop-1-en-2-ylmorpholine?
The InChIKey is ALTHQTNZTJKVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)8-3-5-9-6-4-8/h1,3-6H2,2H3.
What are the key properties of 4-prop-1-en-2-ylmorpholine?
4-prop-1-en-2-ylmorpholine has a molecular weight of 127.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylmorpholine is sourced from PubChem (CID 12570654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).