3-methylidene-4-propan-2-ylmorpholine

C8H15NO — CID 59374027

IUPAC3-methylidene-4-propan-2-ylmorpholine
SMILESC=C1COCCN1C(C)C
InChIInChI=1S/C8H15NO/c1-7(2)9-4-5-10-6-8(9)3/h7H,3-6H2,1-2H3
InChIKeyNOLJDHBPGCOXKG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.24
Rot. Bonds1

About 3-methylidene-4-propan-2-ylmorpholine

3-methylidene-4-propan-2-ylmorpholine (PubChem CID 59374027) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methylidene-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3-methylidene-4-propan-2-ylmorpholine
PubChem CID59374027
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methylidene-4-propan-2-ylmorpholine
SMILESC=C1COCCN1C(C)C
InChIInChI=1S/C8H15NO/c1-7(2)9-4-5-10-6-8(9)3/h7H,3-6H2,1-2H3
InChIKeyNOLJDHBPGCOXKG-UHFFFAOYSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-propan-2-ylmorpholine?
The IUPAC name of 3-methylidene-4-propan-2-ylmorpholine (CID 59374027) is 3-methylidene-4-propan-2-ylmorpholine.
What is the SMILES notation for 3-methylidene-4-propan-2-ylmorpholine?
The canonical SMILES for 3-methylidene-4-propan-2-ylmorpholine is C=C1COCCN1C(C)C.
What is the InChIKey of 3-methylidene-4-propan-2-ylmorpholine?
The InChIKey is NOLJDHBPGCOXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-4-5-10-6-8(9)3/h7H,3-6H2,1-2H3.
What are the key properties of 3-methylidene-4-propan-2-ylmorpholine?
3-methylidene-4-propan-2-ylmorpholine has a molecular weight of 141.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-propan-2-ylmorpholine is sourced from PubChem (CID 59374027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).