(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one

C10H15NO3 — CID 54510274

IUPAC(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one
SMILESC=C=C[C@H]1C(OC)C(OC)C(=O)N1C
InChIInChI=1S/C10H15NO3/c1-5-6-7-8(13-3)9(14-4)10(12)11(7)2/h6-9H,1H2,2-4H3/t7-,8?,9?/m0/s1
InChIKeyYIPKRSZDMHYOJU-UEJVZZJDSA-N
MW197.23 g/mol
LogP0.20
Rot. Bonds3

About (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one

(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one (PubChem CID 54510274) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one
PubChem CID54510274
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one
SMILESC=C=C[C@H]1C(OC)C(OC)C(=O)N1C
InChIInChI=1S/C10H15NO3/c1-5-6-7-8(13-3)9(14-4)10(12)11(7)2/h6-9H,1H2,2-4H3/t7-,8?,9?/m0/s1
InChIKeyYIPKRSZDMHYOJU-UEJVZZJDSA-N
XLogP0.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one?
The IUPAC name of (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one (CID 54510274) is (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one.
What is the SMILES notation for (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one?
The canonical SMILES for (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one is C=C=C[C@H]1C(OC)C(OC)C(=O)N1C.
What is the InChIKey of (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one?
The InChIKey is YIPKRSZDMHYOJU-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-6-7-8(13-3)9(14-4)10(12)11(7)2/h6-9H,1H2,2-4H3/t7-,8?,9?/m0/s1.
What are the key properties of (5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one?
(5S)-3,4-dimethoxy-1-methyl-5-propa-1,2-dienylpyrrolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.20, 3 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-propa-1,2-dienylpyrrolidin-2-one is sourced from PubChem (CID 54510274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).