5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one

C17H24N2O — CID 143242554

IUPAC5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one
SMILESC=C(CC)c1ccc(CNCC2CCC(=O)N2C)cc1
InChIInChI=1S/C17H24N2O/c1-4-13(2)15-7-5-14(6-8-15)11-18-12-16-9-10-17(20)19(16)3/h5-8,16,18H,2,4,9-12H2,1,3H3
InChIKeyDYXTXHLYEUDNHV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.82
Rot. Bonds6

About 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one

5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 143242554) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one
PubChem CID143242554
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one
SMILESC=C(CC)c1ccc(CNCC2CCC(=O)N2C)cc1
InChIInChI=1S/C17H24N2O/c1-4-13(2)15-7-5-14(6-8-15)11-18-12-16-9-10-17(20)19(16)3/h5-8,16,18H,2,4,9-12H2,1,3H3
InChIKeyDYXTXHLYEUDNHV-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one (CID 143242554) is 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one is C=C(CC)c1ccc(CNCC2CCC(=O)N2C)cc1.
What is the InChIKey of 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is DYXTXHLYEUDNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-13(2)15-7-5-14(6-8-15)11-18-12-16-9-10-17(20)19(16)3/h5-8,16,18H,2,4,9-12H2,1,3H3.
What are the key properties of 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-but-1-en-2-ylphenyl)methylamino]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 143242554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).