5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one

C16H29NO3 — CID 79065688

IUPAC5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one
SMILESCCC(C)(C(=O)CCCC1CCCO1)N1CCOCC1
InChIInChI=1S/C16H29NO3/c1-3-16(2,17-9-12-19-13-10-17)15(18)8-4-6-14-7-5-11-20-14/h14H,3-13H2,1-2H3
InChIKeyKZBNDUKRPOUQRJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.41
Rot. Bonds7

About 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one

5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one (PubChem CID 79065688) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one.

Molecular Properties

Compound Name5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one
PubChem CID79065688
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one
SMILESCCC(C)(C(=O)CCCC1CCCO1)N1CCOCC1
InChIInChI=1S/C16H29NO3/c1-3-16(2,17-9-12-19-13-10-17)15(18)8-4-6-14-7-5-11-20-14/h14H,3-13H2,1-2H3
InChIKeyKZBNDUKRPOUQRJ-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-one
CID 79044967
2-Methyl-2-morpholin-4-yl-6-(oxolan-2-yl)hexan-3-one
CID 79045046
5-Ethyl-2-methyl-2-morpholin-4-ylnonan-3-one
CID 79045275
2-Methyl-2-morpholin-4-ylundecan-3-one
CID 79045350
2-Methyl-6-(oxolan-2-yl)-2-piperidin-1-ylhexan-3-one
CID 79045975
2-(Dimethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one
CID 79046520
2-(Azepan-1-yl)-2-methyl-6-(oxolan-2-yl)hexan-3-one
CID 79051199
5-(Dimethylamino)-5-methyl-1-(oxolan-2-yl)heptan-4-one
CID 79051380
2-(Diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one
CID 79053141
3-Methyl-3-morpholin-4-yltridecan-4-one
CID 79057084
1-(1-Morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one
CID 79057253
1-(1-Morpholin-4-ylcyclopentyl)nonan-1-one
CID 79057518

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one?
The IUPAC name of 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one (CID 79065688) is 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one.
What is the SMILES notation for 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one?
The canonical SMILES for 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one is CCC(C)(C(=O)CCCC1CCCO1)N1CCOCC1.
What is the InChIKey of 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one?
The InChIKey is KZBNDUKRPOUQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-16(2,17-9-12-19-13-10-17)15(18)8-4-6-14-7-5-11-20-14/h14H,3-13H2,1-2H3.
What are the key properties of 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one?
5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one has a molecular weight of 283.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one is sourced from PubChem (CID 79065688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).