(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one

C9H15NO2 — CID 7357027

IUPAC(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@@H]1O
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(11)6(2)7(3)9(10)12/h8,11H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyQWVQMHZSOJBWNR-QMMMGPOBSA-N
MW169.22 g/mol
LogP0.89
Rot. Bonds2

About (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one

(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one (PubChem CID 7357027) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
PubChem CID7357027
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@@H]1O
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(11)6(2)7(3)9(10)12/h8,11H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyQWVQMHZSOJBWNR-QMMMGPOBSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
CID 7357026
4-(2-hydroxy-3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)butanoic acid
CID 45093305
2-methoxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one
CID 25246653
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774
3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
CID 91030977
1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 126624459
2-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135175817
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 135164334
4-hydroxy-1,6-dimethyl-3-propyl-4H-quinazolin-2-one
CID 123898317
(2R)-3,4-dimethyl-2-[1-methyl-2-(4-methylphenyl)indol-3-yl]-1-propyl-2H-pyrrol-5-one
CID 7345881
[(2R)-1-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-cyclododecylazanium
CID 7303766
(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one
CID 31021538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one (CID 7357027) is (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(C)=C(C)[C@@H]1O.
What is the InChIKey of (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
The InChIKey is QWVQMHZSOJBWNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-10-8(11)6(2)7(3)9(10)12/h8,11H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one?
(2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3,4-dimethyl-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 7357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).