(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one

C10H13NO2 — CID 135697412

IUPAC(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)[C@@H](O)C[C@H]1C1=CCC=C1
InChIInChI=1S/C10H13NO2/c1-11-8(6-9(12)10(11)13)7-4-2-3-5-7/h2,4-5,8-9,12H,3,6H2,1H3/t8-,9-/m0/s1
InChIKeyLEKKAAXXFCCSBJ-IUCAKERBSA-N
MW179.22 g/mol
LogP0.46
Rot. Bonds1

About (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one

(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 135697412) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID135697412
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)[C@@H](O)C[C@H]1C1=CCC=C1
InChIInChI=1S/C10H13NO2/c1-11-8(6-9(12)10(11)13)7-4-2-3-5-7/h2,4-5,8-9,12H,3,6H2,1H3/t8-,9-/m0/s1
InChIKeyLEKKAAXXFCCSBJ-IUCAKERBSA-N
XLogP0.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one (CID 135697412) is (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one is CN1C(=O)[C@@H](O)C[C@H]1C1=CCC=C1.
What is the InChIKey of (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is LEKKAAXXFCCSBJ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-8(6-9(12)10(11)13)7-4-2-3-5-7/h2,4-5,8-9,12H,3,6H2,1H3/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one?
(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 135697412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).