5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one

C15H22N2O2 — CID 72851654

IUPAC5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CC2CCN(C3CCOCC3)C2)c[nH]1
InChIInChI=1S/C15H22N2O2/c18-15-2-1-12(10-16-15)9-13-3-6-17(11-13)14-4-7-19-8-5-14/h1-2,10,13-14H,3-9,11H2,(H,16,18)
InChIKeyYICBWYSSMWFUAQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.42
Rot. Bonds3

About 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one

5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one (PubChem CID 72851654) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
PubChem CID72851654
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CC2CCN(C3CCOCC3)C2)c[nH]1
InChIInChI=1S/C15H22N2O2/c18-15-2-1-12(10-16-15)9-13-3-6-17(11-13)14-4-7-19-8-5-14/h1-2,10,13-14H,3-9,11H2,(H,16,18)
InChIKeyYICBWYSSMWFUAQ-UHFFFAOYSA-N
XLogP1.42
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
CID 72919703
1-(azepan-1-yl)-4-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 138379375
3,5-dichloro-4-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]phenol
CID 141203578
1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
CID 95841791
5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138382589
2-[1-(oxan-4-yl)pyrrolidin-3-yl]ethanamine
CID 83618622
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138380020
2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 138386833
5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 91796344
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 163304789

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one (CID 72851654) is 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one is O=c1ccc(CC2CCN(C3CCOCC3)C2)c[nH]1.
What is the InChIKey of 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The InChIKey is YICBWYSSMWFUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15-2-1-12(10-16-15)9-13-3-6-17(11-13)14-4-7-19-8-5-14/h1-2,10,13-14H,3-9,11H2,(H,16,18).
What are the key properties of 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(oxan-4-yl)pyrrolidin-3-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 72851654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).