(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one

C15H29NO2 — CID 149006376

IUPAC(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)C(C(C)C)C(C(C)C)[C@]1(C)O
InChIInChI=1S/C15H29NO2/c1-9(2)8-16-14(17)12(10(3)4)13(11(5)6)15(16,7)18/h9-13,18H,8H2,1-7H3/t12?,13?,15-/m0/s1
InChIKeyQAQOBFSHWVAOPI-PIMMBPRGSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds4

About (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one

(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one (PubChem CID 149006376) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one
PubChem CID149006376
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)C(C(C)C)C(C(C)C)[C@]1(C)O
InChIInChI=1S/C15H29NO2/c1-9(2)8-16-14(17)12(10(3)4)13(11(5)6)15(16,7)18/h9-13,18H,8H2,1-7H3/t12?,13?,15-/m0/s1
InChIKeyQAQOBFSHWVAOPI-PIMMBPRGSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
CID 59887449
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103935403
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 21018613
1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 134299206
8-amino-5-(2-methylpropyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-7-en-6-one
CID 103565729
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
1-(2-methylpropyl)-5-sulfanylimidazolidine-2,4-dione
CID 87234225
(2R,5R,6S)-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 11701918
3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
CID 105441620

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one (CID 149006376) is (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one is CC(C)CN1C(=O)C(C(C)C)C(C(C)C)[C@]1(C)O.
What is the InChIKey of (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one?
The InChIKey is QAQOBFSHWVAOPI-PIMMBPRGSA-N. The full InChI is InChI=1S/C15H29NO2/c1-9(2)8-16-14(17)12(10(3)4)13(11(5)6)15(16,7)18/h9-13,18H,8H2,1-7H3/t12?,13?,15-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one?
(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one has a molecular weight of 255.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 149006376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).