4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione

C9H13NO3 — CID 130626309

IUPAC4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione
SMILESCC1CC1CN1C(=O)COCC1=O
InChIInChI=1S/C9H13NO3/c1-6-2-7(6)3-10-8(11)4-13-5-9(10)12/h6-7H,2-5H2,1H3
InChIKeyJJBFRGBAYXBTMA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds2

About 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione

4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione (PubChem CID 130626309) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione
PubChem CID130626309
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione
SMILESCC1CC1CN1C(=O)COCC1=O
InChIInChI=1S/C9H13NO3/c1-6-2-7(6)3-10-8(11)4-13-5-9(10)12/h6-7H,2-5H2,1H3
InChIKeyJJBFRGBAYXBTMA-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.03
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-(4-Methylpiperidin-1-yl)-2-(2-methylpropoxy)propan-1-one
CID 45818538
2-(2-Methylpropoxy)-1-piperidin-1-ylpropan-1-one
CID 51079669
4-Butylmorpholine-3,5-dione
CID 13156567
1-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-2-methoxyethanone
CID 178006049
1-(3-Fluoro-4-methylpiperidin-1-yl)-2-methoxyethanone
CID 130620439
2-Ethoxy-1-piperidin-1-ylethanone
CID 3593316
2-Ethoxy-1-(4-methylpiperidin-1-yl)ethanone
CID 4576865
2-[(2-Methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone
CID 12636378
2-Methoxy-1-piperidin-1-ylethanone
CID 12863611
2-Methoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811787
4-(3,3-Dimethylbutyl)morpholine-3,5-dione
CID 21027159
2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 40233367

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione (CID 130626309) is 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione is CC1CC1CN1C(=O)COCC1=O.
What is the InChIKey of 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione?
The InChIKey is JJBFRGBAYXBTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-2-7(6)3-10-8(11)4-13-5-9(10)12/h6-7H,2-5H2,1H3.
What are the key properties of 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione?
4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 130626309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).