1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one

C13H18N2O2 — CID 84697697

IUPAC1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one
SMILESCc1c(OC2CCNC2)c(=O)ccn1C1CC1
InChIInChI=1S/C13H18N2O2/c1-9-13(17-11-4-6-14-8-11)12(16)5-7-15(9)10-2-3-10/h5,7,10-11,14H,2-4,6,8H2,1H3
InChIKeyIEAJXWYZENUXGH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds3

About 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one

1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one (PubChem CID 84697697) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one
PubChem CID84697697
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one
SMILESCc1c(OC2CCNC2)c(=O)ccn1C1CC1
InChIInChI=1S/C13H18N2O2/c1-9-13(17-11-4-6-14-8-11)12(16)5-7-15(9)10-2-3-10/h5,7,10-11,14H,2-4,6,8H2,1H3
InChIKeyIEAJXWYZENUXGH-UHFFFAOYSA-N
XLogP1.23
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminomethyl-5-(2-pyrrolidin-1-yl-ethoxy)-pyridin-4-ol
CID 59300403
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064552
N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064561
2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064658
3-[2-(dimethylamino)ethoxy]-2-methyl-1H-pyridin-4-one
CID 82064665
2-methyl-3-pyrrolidin-3-yloxy-1H-pyridin-4-one
CID 84665469
1-Methyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84665470
1,2-Dimethyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84676149
3-(2-Aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one
CID 84676152
2-methyl-3-(pyrrolidin-2-ylmethoxy)-1H-pyridin-4-one
CID 84676154
3-(2-Aminoethoxy)-2-methyl-1-propan-2-ylpyridin-4-one
CID 84677855
1-Cyclopropyl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84685733

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one?
The IUPAC name of 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one (CID 84697697) is 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one is Cc1c(OC2CCNC2)c(=O)ccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one?
The InChIKey is IEAJXWYZENUXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-13(17-11-4-6-14-8-11)12(16)5-7-15(9)10-2-3-10/h5,7,10-11,14H,2-4,6,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one?
1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-pyrrolidin-3-yloxypyridin-4-one is sourced from PubChem (CID 84697697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).