1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one

C11H20N2O3 — CID 69298401

IUPAC1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one
SMILESCC(O)N1CCCC1=O.CN1CCCC1=O
InChIInChI=1S/C6H11NO2.C5H9NO/c1-5(8)7-4-2-3-6(7)9;1-6-4-2-3-5(6)7/h5,8H,2-4H2,1H3;2-4H2,1H3
InChIKeyHHOMZQHRDVWZJR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.19
Rot. Bonds1

About 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one

1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one (PubChem CID 69298401) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one
PubChem CID69298401
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one
SMILESCC(O)N1CCCC1=O.CN1CCCC1=O
InChIInChI=1S/C6H11NO2.C5H9NO/c1-5(8)7-4-2-3-6(7)9;1-6-4-2-3-5(6)7/h5,8H,2-4H2,1H3;2-4H2,1H3
InChIKeyHHOMZQHRDVWZJR-UHFFFAOYSA-N
XLogP0.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one?
The IUPAC name of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one (CID 69298401) is 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one?
The canonical SMILES for 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one is CC(O)N1CCCC1=O.CN1CCCC1=O.
What is the InChIKey of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one?
The InChIKey is HHOMZQHRDVWZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C5H9NO/c1-5(8)7-4-2-3-6(7)9;1-6-4-2-3-5(6)7/h5,8H,2-4H2,1H3;2-4H2,1H3.
What are the key properties of 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one?
1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one has a molecular weight of 228.29 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)pyrrolidin-2-one;1-methylpyrrolidin-2-one is sourced from PubChem (CID 69298401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).