2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide

C7H12N2O3 — CID 19817645

IUPAC2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C7H12N2O3/c1-8-6(11)4-9-3-2-5(10)7(9)12/h5,10H,2-4H2,1H3,(H,8,11)
InChIKeyXTYPTVXRTCJVOH-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.67
Rot. Bonds2

About 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide

2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide (PubChem CID 19817645) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide
PubChem CID19817645
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C7H12N2O3/c1-8-6(11)4-9-3-2-5(10)7(9)12/h5,10H,2-4H2,1H3,(H,8,11)
InChIKeyXTYPTVXRTCJVOH-UHFFFAOYSA-N
XLogP-1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide (CID 19817645) is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide is CNC(=O)CN1CCC(O)C1=O.
What is the InChIKey of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide?
The InChIKey is XTYPTVXRTCJVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-8-6(11)4-9-3-2-5(10)7(9)12/h5,10H,2-4H2,1H3,(H,8,11).
What are the key properties of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide?
2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide has a molecular weight of 172.18 g/mol, XLogP of -1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 19817645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).