1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one

C8H15NO3 — CID 104550415

IUPAC1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one
SMILESCC(O)(CO)CN1CCCC1=O
InChIInChI=1S/C8H15NO3/c1-8(12,6-10)5-9-4-2-3-7(9)11/h10,12H,2-6H2,1H3
InChIKeyLSQODVDHGQCWHO-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.65
Rot. Bonds3

About 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one

1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one (PubChem CID 104550415) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one
PubChem CID104550415
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one
SMILESCC(O)(CO)CN1CCCC1=O
InChIInChI=1S/C8H15NO3/c1-8(12,6-10)5-9-4-2-3-7(9)11/h10,12H,2-6H2,1H3
InChIKeyLSQODVDHGQCWHO-UHFFFAOYSA-N
XLogP-0.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one (CID 104550415) is 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one is CC(O)(CO)CN1CCCC1=O.
What is the InChIKey of 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one?
The InChIKey is LSQODVDHGQCWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(12,6-10)5-9-4-2-3-7(9)11/h10,12H,2-6H2,1H3.
What are the key properties of 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one?
1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxy-2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104550415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).