(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one

C10H18N2O — CID 102075295

IUPAC(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one
SMILESC[C@H]1CC(=O)NN1C1CCCCC1
InChIInChI=1S/C10H18N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyKYRXJROODZMPBD-QMMMGPOBSA-N
MW182.27 g/mol
LogP1.44
Rot. Bonds1

About (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one

(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one (PubChem CID 102075295) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one
PubChem CID102075295
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one
SMILESC[C@H]1CC(=O)NN1C1CCCCC1
InChIInChI=1S/C10H18N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyKYRXJROODZMPBD-QMMMGPOBSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one?
The IUPAC name of (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one (CID 102075295) is (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one.
What is the SMILES notation for (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one?
The canonical SMILES for (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one is C[C@H]1CC(=O)NN1C1CCCCC1.
What is the InChIKey of (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one?
The InChIKey is KYRXJROODZMPBD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one?
(5S)-1-cyclohexyl-5-methylpyrazolidin-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-cyclohexyl-5-methylpyrazolidin-3-one is sourced from PubChem (CID 102075295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).