1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one

C9H17NO2 — CID 91279247

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H17NO2/c1-7(2)8(11)10-5-4-9(3,12)6-10/h7,12H,4-6H2,1-3H3
InChIKeyUDDMZNYCSAAPJL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds1

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 91279247) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID91279247
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H17NO2/c1-7(2)8(11)10-5-4-9(3,12)6-10/h7,12H,4-6H2,1-3H3
InChIKeyUDDMZNYCSAAPJL-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one (CID 91279247) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C)(O)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is UDDMZNYCSAAPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)8(11)10-5-4-9(3,12)6-10/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 91279247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).