2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

C13H19N3O2 — CID 73439823

IUPAC2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1cnc(C2CN(C(=O)CC3CC3)CCO2)[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-7-14-13(15-9)11-8-16(4-5-18-11)12(17)6-10-2-3-10/h7,10-11H,2-6,8H2,1H3,(H,14,15)
InChIKeyWPZCQIXCSLVKSQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds3

About 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 73439823) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
PubChem CID73439823
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1cnc(C2CN(C(=O)CC3CC3)CCO2)[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-7-14-13(15-9)11-8-16(4-5-18-11)12(17)6-10-2-3-10/h7,10-11H,2-6,8H2,1H3,(H,14,15)
InChIKeyWPZCQIXCSLVKSQ-UHFFFAOYSA-N
XLogP1.42
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone (CID 73439823) is 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone is Cc1cnc(C2CN(C(=O)CC3CC3)CCO2)[nH]1.
What is the InChIKey of 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is WPZCQIXCSLVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-14-13(15-9)11-8-16(4-5-18-11)12(17)6-10-2-3-10/h7,10-11H,2-6,8H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 73439823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).