2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone

C9H17NO3 — CID 116561302

IUPAC2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCCOCC(=O)C1COCC1NC
InChIInChI=1S/C9H17NO3/c1-3-12-6-9(11)7-4-13-5-8(7)10-2/h7-8,10H,3-6H2,1-2H3
InChIKeyFJCFETFJVCPXAY-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.17
Rot. Bonds5

About 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone

2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone (PubChem CID 116561302) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
PubChem CID116561302
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCCOCC(=O)C1COCC1NC
InChIInChI=1S/C9H17NO3/c1-3-12-6-9(11)7-4-13-5-8(7)10-2/h7-8,10H,3-6H2,1-2H3
InChIKeyFJCFETFJVCPXAY-UHFFFAOYSA-N
XLogP-0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methylamino)oxolan-3-yl]octan-1-one
CID 116561320
4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287
4-methyl-1-[4-(methylamino)oxolan-3-yl]pent-4-en-1-one
CID 114477902
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
1-[4-(methylamino)oxolan-3-yl]pent-4-yn-1-one
CID 116561489
butan-2-yl 4-(methylamino)oxolane-3-carboxylate
CID 66267071
1-[4-(methylamino)oxolan-3-yl]prop-2-en-1-one
CID 116561380
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561305
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide
CID 114010610
N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide
CID 66265856

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone (CID 116561302) is 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone is CCOCC(=O)C1COCC1NC.
What is the InChIKey of 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone?
The InChIKey is FJCFETFJVCPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-12-6-9(11)7-4-13-5-8(7)10-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone?
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone has a molecular weight of 187.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116561302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).