1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride

C12H23ClN2O2 — CID 119781999

IUPAC1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCC1(C)CCN(C(=O)CC2CNCCO2)C1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(2)3-5-14(9-12)11(15)7-10-8-13-4-6-16-10;/h10,13H,3-9H2,1-2H3;1H
InChIKeySELGMTRGXFXLLN-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.05
Rot. Bonds2

About 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride

1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride (PubChem CID 119781999) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
PubChem CID119781999
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCC1(C)CCN(C(=O)CC2CNCCO2)C1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(2)3-5-14(9-12)11(15)7-10-8-13-4-6-16-10;/h10,13H,3-9H2,1-2H3;1H
InChIKeySELGMTRGXFXLLN-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-(2-morpholin-2-ylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 66427689
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119788325
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
N-methyl-1-(2-morpholin-2-ylacetyl)piperidine-4-carboxamide
CID 66433581
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride (CID 119781999) is 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride is CC1(C)CCN(C(=O)CC2CNCCO2)C1.Cl.
What is the InChIKey of 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
The InChIKey is SELGMTRGXFXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-12(2)3-5-14(9-12)11(15)7-10-8-13-4-6-16-10;/h10,13H,3-9H2,1-2H3;1H.
What are the key properties of 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride?
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119781999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).