3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one

C11H17NO3 — CID 103534416

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one
SMILESCOC1CN(C2=CC(=O)CC2)CC1OC
InChIInChI=1S/C11H17NO3/c1-14-10-6-12(7-11(10)15-2)8-3-4-9(13)5-8/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyJJRKDQVZQGTLBU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds3

About 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one

3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one (PubChem CID 103534416) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one
PubChem CID103534416
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one
SMILESCOC1CN(C2=CC(=O)CC2)CC1OC
InChIInChI=1S/C11H17NO3/c1-14-10-6-12(7-11(10)15-2)8-3-4-9(13)5-8/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyJJRKDQVZQGTLBU-UHFFFAOYSA-N
XLogP0.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolidine, N-(1-cyclopenten-3-one-1-yl)-2-(methoxymethyl)-
CID 591755
3-[2-Methoxyethyl(prop-2-enyl)amino]cyclopent-2-en-1-one
CID 103339172
3-(3-Methoxypyrrolidin-1-yl)cyclopent-2-en-1-one
CID 103534390
3-(2,6-Dimethylmorpholin-4-yl)cyclopent-2-en-1-one
CID 104787633
3-(2-Ethylmorpholin-4-yl)cyclopent-2-en-1-one
CID 104787715
3-[Bis(2-methoxyethyl)amino]cyclopent-2-en-1-one
CID 104787763
3-[2-Methoxyethyl(methyl)amino]cyclopent-2-en-1-one
CID 104787772
3-[Methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787774
3-[Ethyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787778
3-[Ethyl(2-methoxyethyl)amino]cyclopent-2-en-1-one
CID 104787791
3-[1-Methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one
CID 104787795
3-[Cyclopropyl(2-methoxyethyl)amino]cyclopent-2-en-1-one
CID 104787796

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one (CID 103534416) is 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one is COC1CN(C2=CC(=O)CC2)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is JJRKDQVZQGTLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-6-12(7-11(10)15-2)8-3-4-9(13)5-8/h5,10-11H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one?
3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 211.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 103534416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).