1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone

C12H24N2O2 — CID 64592292

IUPAC1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(N(CC)CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-13(5-2)11-7-8-14(9-11)12(15)10-16-6-3/h11H,4-10H2,1-3H3
InChIKeySBKXJEBXEFRMRQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds6

About 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone

1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone (PubChem CID 64592292) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
PubChem CID64592292
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC(N(CC)CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-13(5-2)11-7-8-14(9-11)12(15)10-16-6-3/h11H,4-10H2,1-3H3
InChIKeySBKXJEBXEFRMRQ-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 110442714
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
CID 176554247
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
4-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120595144
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone (CID 64592292) is 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC(N(CC)CC)C1.
What is the InChIKey of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
The InChIKey is SBKXJEBXEFRMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13(5-2)11-7-8-14(9-11)12(15)10-16-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone?
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone has a molecular weight of 228.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 64592292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).