1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one

C8H16N2O2 — CID 43187945

IUPAC1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
SMILESCNCC(O)CN1CCCC1=O
InChIInChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3
InChIKeyZMESCLLKMGZIBU-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds4

About 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one

1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one (PubChem CID 43187945) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
PubChem CID43187945
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
SMILESCNCC(O)CN1CCCC1=O
InChIInChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3
InChIKeyZMESCLLKMGZIBU-UHFFFAOYSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one (CID 43187945) is 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one is CNCC(O)CN1CCCC1=O.
What is the InChIKey of 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one?
The InChIKey is ZMESCLLKMGZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 43187945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).