(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one

C12H18N2O3 — CID 145076807

IUPAC(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one
SMILESO=C(CCCN1C(=O)C=C[C@@H]1O)N1CCCC1
InChIInChI=1S/C12H18N2O3/c15-10(13-7-1-2-8-13)4-3-9-14-11(16)5-6-12(14)17/h5-6,11,16H,1-4,7-9H2/t11-/m0/s1
InChIKeyRQIFTSMOBBOVIO-NSHDSACASA-N
MW238.29 g/mol
LogP0.11
Rot. Bonds4

About (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one

(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one (PubChem CID 145076807) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one
PubChem CID145076807
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one
SMILESO=C(CCCN1C(=O)C=C[C@@H]1O)N1CCCC1
InChIInChI=1S/C12H18N2O3/c15-10(13-7-1-2-8-13)4-3-9-14-11(16)5-6-12(14)17/h5-6,11,16H,1-4,7-9H2/t11-/m0/s1
InChIKeyRQIFTSMOBBOVIO-NSHDSACASA-N
XLogP0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one (CID 145076807) is (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one is O=C(CCCN1C(=O)C=C[C@@H]1O)N1CCCC1.
What is the InChIKey of (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one?
The InChIKey is RQIFTSMOBBOVIO-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10(13-7-1-2-8-13)4-3-9-14-11(16)5-6-12(14)17/h5-6,11,16H,1-4,7-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one?
(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one has a molecular weight of 238.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one is sourced from PubChem (CID 145076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).