(5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one

C10H17NO3 — CID 54242506

IUPAC(5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@H]1C(OC)C(OC)C(=O)N1C
InChIInChI=1S/C10H17NO3/c1-5-6-7-8(13-3)9(14-4)10(12)11(7)2/h5,7-9H,1,6H2,2-4H3/t7-,8?,9?/m0/s1
InChIKeyQQZSTTLBKUDBNE-UEJVZZJDSA-N
MW199.25 g/mol
LogP0.43
Rot. Bonds4

About (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one

(5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 54242506) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one
PubChem CID54242506
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@H]1C(OC)C(OC)C(=O)N1C
InChIInChI=1S/C10H17NO3/c1-5-6-7-8(13-3)9(14-4)10(12)11(7)2/h5,7-9H,1,6H2,2-4H3/t7-,8?,9?/m0/s1
InChIKeyQQZSTTLBKUDBNE-UEJVZZJDSA-N
XLogP0.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,4S)-3,4-dimethoxypyrrolidin-1-yl]hept-6-en-1-one
CID 14784823
[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 134925756
(5S)-5-ethenyl-3,4-dimethoxy-1-methylpyrrolidin-2-one
CID 54197200
(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one
CID 54510274
[(2R,3S,4R)-4-acetyloxy-1-methyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 10858054
[(2S,3S,4R)-4-acetyloxy-1-methyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 10879681
[(2S,3S,4R)-4-acetyloxy-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 10923973
[(2R,3S,4R)-4-acetyloxy-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 11011424
[(1S,2R,8aR)-2-acetyloxy-3-oxo-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] acetate
CID 11172812
[(3S,4R)-4-acetyloxy-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 11254526
[(1S,2R,8aS)-2-acetyloxy-3-oxo-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] acetate
CID 11334258
(3aS,6S,6aS)-2,2-dimethyl-5,6-bis(prop-2-enyl)-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
CID 24755874

Frequently Asked Questions

What is the IUPAC name of (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one (CID 54242506) is (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one is C=CC[C@H]1C(OC)C(OC)C(=O)N1C.
What is the InChIKey of (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is QQZSTTLBKUDBNE-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-6-7-8(13-3)9(14-4)10(12)11(7)2/h5,7-9H,1,6H2,2-4H3/t7-,8?,9?/m0/s1.
What are the key properties of (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one?
(5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,4-dimethoxy-1-methyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 54242506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).