4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one

C9H17NO3 — CID 21331357

IUPAC4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
SMILESCOC1C(CO)CC(=O)N1C(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)10-8(12)4-7(5-11)9(10)13-3/h6-7,9,11H,4-5H2,1-3H3
InChIKeyRZIFUAOGGPBPLG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds3

About 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one

4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one (PubChem CID 21331357) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
PubChem CID21331357
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
SMILESCOC1C(CO)CC(=O)N1C(C)C
InChIInChI=1S/C9H17NO3/c1-6(2)10-8(12)4-7(5-11)9(10)13-3/h6-7,9,11H,4-5H2,1-3H3
InChIKeyRZIFUAOGGPBPLG-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one (CID 21331357) is 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one is COC1C(CO)CC(=O)N1C(C)C.
What is the InChIKey of 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RZIFUAOGGPBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)10-8(12)4-7(5-11)9(10)13-3/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one?
4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methoxy-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 21331357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).