1-ethylpyrrolidin-2-one;propane-1,2-diol

C9H19NO3 — CID 69270275

IUPAC1-ethylpyrrolidin-2-one;propane-1,2-diol
SMILESCC(O)CO.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C3H8O2/c1-2-7-5-3-4-6(7)8;1-3(5)2-4/h2-5H2,1H3;3-5H,2H2,1H3
InChIKeyPKQKELIGOVUFGJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.01
Rot. Bonds2

About 1-ethylpyrrolidin-2-one;propane-1,2-diol

1-ethylpyrrolidin-2-one;propane-1,2-diol (PubChem CID 69270275) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-ethylpyrrolidin-2-one;propane-1,2-diol.

Molecular Properties

Compound Name1-ethylpyrrolidin-2-one;propane-1,2-diol
PubChem CID69270275
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-ethylpyrrolidin-2-one;propane-1,2-diol
SMILESCC(O)CO.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C3H8O2/c1-2-7-5-3-4-6(7)8;1-3(5)2-4/h2-5H2,1H3;3-5H,2H2,1H3
InChIKeyPKQKELIGOVUFGJ-UHFFFAOYSA-N
XLogP-0.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111114050
1-ethylpyrrolidin-2-one;oxolan-2-one
CID 19607213
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
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CID 106159311

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-2-one;propane-1,2-diol?
The IUPAC name of 1-ethylpyrrolidin-2-one;propane-1,2-diol (CID 69270275) is 1-ethylpyrrolidin-2-one;propane-1,2-diol.
What is the SMILES notation for 1-ethylpyrrolidin-2-one;propane-1,2-diol?
The canonical SMILES for 1-ethylpyrrolidin-2-one;propane-1,2-diol is CC(O)CO.CCN1CCCC1=O.
What is the InChIKey of 1-ethylpyrrolidin-2-one;propane-1,2-diol?
The InChIKey is PKQKELIGOVUFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8O2/c1-2-7-5-3-4-6(7)8;1-3(5)2-4/h2-5H2,1H3;3-5H,2H2,1H3.
What are the key properties of 1-ethylpyrrolidin-2-one;propane-1,2-diol?
1-ethylpyrrolidin-2-one;propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-2-one;propane-1,2-diol is sourced from PubChem (CID 69270275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).