1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one

C16H22N2O2 — CID 138546528

IUPAC1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCN(Cc1ccc(N2CCCC2=O)cc1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-17(15-8-10-20-12-15)11-13-4-6-14(7-5-13)18-9-2-3-16(18)19/h4-7,15H,2-3,8-12H2,1H3
InChIKeyGDKJRQOWIQRFEX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 138546528) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID138546528
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCN(Cc1ccc(N2CCCC2=O)cc1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c1-17(15-8-10-20-12-15)11-13-4-6-14(7-5-13)18-9-2-3-16(18)19/h4-7,15H,2-3,8-12H2,1H3
InChIKeyGDKJRQOWIQRFEX-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546575
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917242
3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid
CID 119212255
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9299632
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
1-[4-[4-[[(3R)-oxan-3-yl]methylamino]piperidin-1-yl]phenyl]pyrrolidin-2-one
CID 31045053
1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen
CID 145132932
4-[[cyclopropyl-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzamide
CID 38371529

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one (CID 138546528) is 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one is CN(Cc1ccc(N2CCCC2=O)cc1)C1CCOC1.
What is the InChIKey of 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is GDKJRQOWIQRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17(15-8-10-20-12-15)11-13-4-6-14(7-5-13)18-9-2-3-16(18)19/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 138546528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).