2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone

C10H17IN2O2 — CID 147849390

IUPAC2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CN(I)CCO1)N1CCCC1
InChIInChI=1S/C10H17IN2O2/c11-13-5-6-15-9(8-13)7-10(14)12-3-1-2-4-12/h9H,1-8H2
InChIKeyHUNFPCVOQVMUSO-UHFFFAOYSA-N
MW324.16 g/mol
LogP1.05
Rot. Bonds2

About 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone

2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 147849390) has the molecular formula C10H17IN2O2 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID147849390
Molecular FormulaC10H17IN2O2
Molecular Weight324.16 g/mol
Exact Mass324.03
IUPAC Name2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CN(I)CCO1)N1CCCC1
InChIInChI=1S/C10H17IN2O2/c11-13-5-6-15-9(8-13)7-10(14)12-3-1-2-4-12/h9H,1-8H2
InChIKeyHUNFPCVOQVMUSO-UHFFFAOYSA-N
XLogP1.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylmorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 69087752
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113
2-(1-acetylpiperidin-3-yl)-1-[2-(2-oxo-2-thiomorpholin-4-ylethyl)morpholin-4-yl]ethanone
CID 129059228
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone (CID 147849390) is 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone is O=C(CC1CN(I)CCO1)N1CCCC1.
What is the InChIKey of 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is HUNFPCVOQVMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN2O2/c11-13-5-6-15-9(8-13)7-10(14)12-3-1-2-4-12/h9H,1-8H2.
What are the key properties of 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone?
2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 324.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 147849390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).