4-(3,3-dimethylbutyl)morpholine-3,5-dione

C10H17NO3 — CID 21027159

IUPAC4-(3,3-dimethylbutyl)morpholine-3,5-dione
SMILESCC(C)(C)CCN1C(=O)COCC1=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)4-5-11-8(12)6-14-7-9(11)13/h4-7H2,1-3H3
InChIKeyXHWHFBCECIICRM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds2

About 4-(3,3-dimethylbutyl)morpholine-3,5-dione

4-(3,3-dimethylbutyl)morpholine-3,5-dione (PubChem CID 21027159) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)morpholine-3,5-dione
PubChem CID21027159
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(3,3-dimethylbutyl)morpholine-3,5-dione
SMILESCC(C)(C)CCN1C(=O)COCC1=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)4-5-11-8(12)6-14-7-9(11)13/h4-7H2,1-3H3
InChIKeyXHWHFBCECIICRM-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 5096685
3,3-Dimethyl-1-(morpholin-4-yl)butan-1-one
CID 4631078
4-Butylmorpholine-3,5-dione
CID 13156567
2-Methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 53517550
1-[4-(3,3-Dimethylbutyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 87032481
4-(3-Fluorobutyl)morpholine-3,5-dione
CID 130679316
2-Ethoxy-1-piperidin-1-ylethanone
CID 3593316
2-Ethoxy-1-(4-methylpiperidin-1-yl)ethanone
CID 4576865
2,2-Dimethyl-1-morpholin-4-ylbutan-1-one
CID 4631079
2-[(2-Methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone
CID 12636378
4-[2-(2,2-Dimethylpropoxy)ethyl]morpholine-3,5-dione
CID 21027158
4-Butylmorpholin-3-one
CID 21486170

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)morpholine-3,5-dione?
The IUPAC name of 4-(3,3-dimethylbutyl)morpholine-3,5-dione (CID 21027159) is 4-(3,3-dimethylbutyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3,3-dimethylbutyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3,3-dimethylbutyl)morpholine-3,5-dione is CC(C)(C)CCN1C(=O)COCC1=O.
What is the InChIKey of 4-(3,3-dimethylbutyl)morpholine-3,5-dione?
The InChIKey is XHWHFBCECIICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)4-5-11-8(12)6-14-7-9(11)13/h4-7H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)morpholine-3,5-dione?
4-(3,3-dimethylbutyl)morpholine-3,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)morpholine-3,5-dione is sourced from PubChem (CID 21027159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).