4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one

C14H25NO3 — CID 79044967

IUPAC4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one
SMILESCC(C)(C(=O)CCC1CCCO1)N1CCOCC1
InChIInChI=1S/C14H25NO3/c1-14(2,15-7-10-17-11-8-15)13(16)6-5-12-4-3-9-18-12/h12H,3-11H2,1-2H3
InChIKeyGOAFDUOEUJHJRQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.63
Rot. Bonds5

About 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one

4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one (PubChem CID 79044967) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one
PubChem CID79044967
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one
SMILESCC(C)(C(=O)CCC1CCCO1)N1CCOCC1
InChIInChI=1S/C14H25NO3/c1-14(2,15-7-10-17-11-8-15)13(16)6-5-12-4-3-9-18-12/h12H,3-11H2,1-2H3
InChIKeyGOAFDUOEUJHJRQ-UHFFFAOYSA-N
XLogP1.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one?
The IUPAC name of 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one (CID 79044967) is 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one?
The canonical SMILES for 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one is CC(C)(C(=O)CCC1CCCO1)N1CCOCC1.
What is the InChIKey of 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one?
The InChIKey is GOAFDUOEUJHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,15-7-10-17-11-8-15)13(16)6-5-12-4-3-9-18-12/h12H,3-11H2,1-2H3.
What are the key properties of 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one?
4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one has a molecular weight of 255.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one is sourced from PubChem (CID 79044967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).