(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one

C9H17NO2 — CID 138981424

IUPAC(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one
SMILESCCC[C@@H](O)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H17NO2/c1-2-3-8(11)6-7-4-5-9(12)10-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m0/s1
InChIKeyMOAYXIIVAUCGDO-JGVFFNPUSA-N
MW171.24 g/mol
LogP0.82
Rot. Bonds4

About (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one

(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one (PubChem CID 138981424) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one
PubChem CID138981424
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one
SMILESCCC[C@@H](O)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C9H17NO2/c1-2-3-8(11)6-7-4-5-9(12)10-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m0/s1
InChIKeyMOAYXIIVAUCGDO-JGVFFNPUSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one (CID 138981424) is (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one is CCC[C@@H](O)C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one?
The InChIKey is MOAYXIIVAUCGDO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-8(11)6-7-4-5-9(12)10-7/h7-8,11H,2-6H2,1H3,(H,10,12)/t7-,8+/m0/s1.
What are the key properties of (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one?
(5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-2-hydroxypentyl]pyrrolidin-2-one is sourced from PubChem (CID 138981424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).