3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one

C15H22N2O2 — CID 71850064

IUPAC3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C15H22N2O2/c1-12(2)9-15(18)17-8-6-14(10-17)19-11-13-5-3-4-7-16-13/h3-5,7,12,14H,6,8-11H2,1-2H3
InChIKeyKGLJTCARRCVRQZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.25
Rot. Bonds5

About 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one

3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one (PubChem CID 71850064) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one
PubChem CID71850064
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C15H22N2O2/c1-12(2)9-15(18)17-8-6-14(10-17)19-11-13-5-3-4-7-16-13/h3-5,7,12,14H,6,8-11H2,1-2H3
InChIKeyKGLJTCARRCVRQZ-UHFFFAOYSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13881
2-Pyridinylmethyl butyrate
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(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline
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Pyridine, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CID 3724387
Ethyl pyridine-2-carboximidate
CID 12263944
2-(MethoxyMethyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 89509456
3-(1-Methyl-pyrrolidin-3-yloxymethyl)-pyridine
CID 18723105
(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 6711319
Valeric acid, 2,2-dimethyl-, 2-pyridylmethyl ester, hydriodide
CID 3053079
1,2-Dimethyl-3-(pyridin-2-yl)pyrrolidin-3-yl propanoate
CID 3053120
2-(Methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 129946687

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one (CID 71850064) is 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(OCc2ccccn2)C1.
What is the InChIKey of 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one?
The InChIKey is KGLJTCARRCVRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)9-15(18)17-8-6-14(10-17)19-11-13-5-3-4-7-16-13/h3-5,7,12,14H,6,8-11H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one?
3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 71850064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).