5-(2-hydroxypyrrolidin-1-yl)pentan-2-one

C9H17NO2 — CID 143803259

IUPAC5-(2-hydroxypyrrolidin-1-yl)pentan-2-one
SMILESCC(=O)CCCN1CCCC1O
InChIInChI=1S/C9H17NO2/c1-8(11)4-2-6-10-7-3-5-9(10)12/h9,12H,2-7H2,1H3
InChIKeyBOINMFHUUJTTSB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds4

About 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one

5-(2-hydroxypyrrolidin-1-yl)pentan-2-one (PubChem CID 143803259) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2-hydroxypyrrolidin-1-yl)pentan-2-one
PubChem CID143803259
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-(2-hydroxypyrrolidin-1-yl)pentan-2-one
SMILESCC(=O)CCCN1CCCC1O
InChIInChI=1S/C9H17NO2/c1-8(11)4-2-6-10-7-3-5-9(10)12/h9,12H,2-7H2,1H3
InChIKeyBOINMFHUUJTTSB-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one?
The IUPAC name of 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one (CID 143803259) is 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one.
What is the SMILES notation for 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one?
The canonical SMILES for 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one is CC(=O)CCCN1CCCC1O.
What is the InChIKey of 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one?
The InChIKey is BOINMFHUUJTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(11)4-2-6-10-7-3-5-9(10)12/h9,12H,2-7H2,1H3.
What are the key properties of 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one?
5-(2-hydroxypyrrolidin-1-yl)pentan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypyrrolidin-1-yl)pentan-2-one is sourced from PubChem (CID 143803259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).