1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one

C16H24N2O2 — CID 50968045

IUPAC1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCOCC(C)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C16H24N2O2/c1-13(12-20-2)17-10-14-6-3-4-7-15(14)11-18-9-5-8-16(18)19/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyKNYUJFXRRMXMSN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds7

About 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one

1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 50968045) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID50968045
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCOCC(C)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C16H24N2O2/c1-13(12-20-2)17-10-14-6-3-4-7-15(14)11-18-9-5-8-16(18)19/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyKNYUJFXRRMXMSN-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one (CID 50968045) is 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one is COCC(C)NCc1ccccc1CN1CCCC1=O.
What is the InChIKey of 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KNYUJFXRRMXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(12-20-2)17-10-14-6-3-4-7-15(14)11-18-9-5-8-16(18)19/h3-4,6-7,13,17H,5,8-12H2,1-2H3.
What are the key properties of 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1-methoxypropan-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50968045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).