1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one

C9H17NO2 — CID 14380333

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

About 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one

1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 14380333) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID14380333
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(O)C1
InChIInChI=1S/C9H17NO2/c1-9(2,3)8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3
InChIKeySSKATSVWZYMGMN-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one (CID 14380333) is 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is SSKATSVWZYMGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 14380333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).