(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

C10H15NO4 — CID 132516448

IUPAC(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
SMILESCO[C@H]1C[C@H](O)C(=O)N1C1OCC=C1C
InChIInChI=1S/C10H15NO4/c1-6-3-4-15-10(6)11-8(14-2)5-7(12)9(11)13/h3,7-8,10,12H,4-5H2,1-2H3/t7-,8-,10?/m0/s1
InChIKeyWEIIIOYFFMOYSL-JIBHNJPVSA-N
MW213.23 g/mol
LogP-0.15
Rot. Bonds2

About (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one (PubChem CID 132516448) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
PubChem CID132516448
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
SMILESCO[C@H]1C[C@H](O)C(=O)N1C1OCC=C1C
InChIInChI=1S/C10H15NO4/c1-6-3-4-15-10(6)11-8(14-2)5-7(12)9(11)13/h3,7-8,10,12H,4-5H2,1-2H3/t7-,8-,10?/m0/s1
InChIKeyWEIIIOYFFMOYSL-JIBHNJPVSA-N
XLogP-0.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,5R)-3,5-dimethoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 132536406
[(3S,5S)-1-hydroxy-5-methoxy-2-oxopyrrolidin-3-yl]phosphonic acid
CID 167104505
(3aR,5S,7aS)-5-hydroxy-6-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 10583223
(4S)-4-hydroxy-3-methylcyclohex-2-en-1-one
CID 11550009
(3S,5S)-5-cyclopenta-1,4-dien-1-yl-3-hydroxy-1-methylpyrrolidin-2-one
CID 135697412
3-hydroxy-1-methoxypiperidine-2,6-dione
CID 167136496
(2S)-2-[(Z)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
CID 59047503
methyl (3R,6R,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate
CID 97170203
(3S,5S)-5-(3,5-dimethoxyphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 126469359
(3aR,5S,7aS)-5-hydroxy-3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 131067489
3-tert-butylsulfanyl-5-methoxy-1-methylpyrrolidin-2-one
CID 118287894
(1S,3R,4R,5R)-3-hydroxy-1,4-dimethoxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10560019

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one (CID 132516448) is (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one is CO[C@H]1C[C@H](O)C(=O)N1C1OCC=C1C.
What is the InChIKey of (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
The InChIKey is WEIIIOYFFMOYSL-JIBHNJPVSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-3-4-15-10(6)11-8(14-2)5-7(12)9(11)13/h3,7-8,10,12H,4-5H2,1-2H3/t7-,8-,10?/m0/s1.
What are the key properties of (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
(3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one has a molecular weight of 213.23 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 132516448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).