1-ethylpyrrolidin-2-one;oxolan-2-one

C10H17NO3 — CID 19607213

IUPAC1-ethylpyrrolidin-2-one;oxolan-2-one
SMILESCCN1CCCC1=O.O=C1CCCO1
InChIInChI=1S/C6H11NO.C4H6O2/c1-2-7-5-3-4-6(7)8;5-4-2-1-3-6-4/h2-5H2,1H3;1-3H2
InChIKeyGFZJIOXJIDYMLW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds1

About 1-ethylpyrrolidin-2-one;oxolan-2-one

1-ethylpyrrolidin-2-one;oxolan-2-one (PubChem CID 19607213) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one;oxolan-2-one.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one;oxolan-2-one
PubChem CID19607213
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-ethylpyrrolidin-2-one;oxolan-2-one
SMILESCCN1CCCC1=O.O=C1CCCO1
InChIInChI=1S/C6H11NO.C4H6O2/c1-2-7-5-3-4-6(7)8;5-4-2-1-3-6-4/h2-5H2,1H3;1-3H2
InChIKeyGFZJIOXJIDYMLW-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
oxolan-2-one;propane
CID 91446607
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
(213C)oxolan-2-one
CID 175700736
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
oxolan-2-one;yttrium
CID 157257098
oxolan-2-one;silver
CID 175854718
oxolan-2-one;hydrate;hydrochloride
CID 174376382
methylsulfinylmethane;oxolan-2-one
CID 18353886
guanidine;oxolan-2-one
CID 159762492
1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one
CID 3108349

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one;oxolan-2-one?
The IUPAC name of 1-ethylpyrrolidin-2-one;oxolan-2-one (CID 19607213) is 1-ethylpyrrolidin-2-one;oxolan-2-one.
What is the SMILES notation for 1-ethylpyrrolidin-2-one;oxolan-2-one?
The canonical SMILES for 1-ethylpyrrolidin-2-one;oxolan-2-one is CCN1CCCC1=O.O=C1CCCO1.
What is the InChIKey of 1-ethylpyrrolidin-2-one;oxolan-2-one?
The InChIKey is GFZJIOXJIDYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H6O2/c1-2-7-5-3-4-6(7)8;5-4-2-1-3-6-4/h2-5H2,1H3;1-3H2.
What are the key properties of 1-ethylpyrrolidin-2-one;oxolan-2-one?
1-ethylpyrrolidin-2-one;oxolan-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one;oxolan-2-one is sourced from PubChem (CID 19607213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).