6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione

C12H21NO3 — CID 131857238

IUPAC6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione
SMILESCCCC1C(=O)OC(CC)C(=O)N1C(C)C
InChIInChI=1S/C12H21NO3/c1-5-7-9-12(15)16-10(6-2)11(14)13(9)8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyIFYCIESVRPAKDU-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.73
Rot. Bonds4

About 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione

6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione (PubChem CID 131857238) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione
PubChem CID131857238
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione
SMILESCCCC1C(=O)OC(CC)C(=O)N1C(C)C
InChIInChI=1S/C12H21NO3/c1-5-7-9-12(15)16-10(6-2)11(14)13(9)8(3)4/h8-10H,5-7H2,1-4H3
InChIKeyIFYCIESVRPAKDU-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione?
The IUPAC name of 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione (CID 131857238) is 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione.
What is the SMILES notation for 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione?
The canonical SMILES for 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione is CCCC1C(=O)OC(CC)C(=O)N1C(C)C.
What is the InChIKey of 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione?
The InChIKey is IFYCIESVRPAKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-7-9-12(15)16-10(6-2)11(14)13(9)8(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione?
6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione has a molecular weight of 227.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione is sourced from PubChem (CID 131857238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).