1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one

C15H20N2O2 — CID 106257211

IUPAC1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1ccc2c(c1)CC(CNC1CCN(C)C1=O)O2
InChIInChI=1S/C15H20N2O2/c1-10-3-4-14-11(7-10)8-12(19-14)9-16-13-5-6-17(2)15(13)18/h3-4,7,12-13,16H,5-6,8-9H2,1-2H3
InChIKeyWOMODNXQSRVCCF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.12
Rot. Bonds3

About 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one

1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 106257211) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
PubChem CID106257211
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1ccc2c(c1)CC(CNC1CCN(C)C1=O)O2
InChIInChI=1S/C15H20N2O2/c1-10-3-4-14-11(7-10)8-12(19-14)9-16-13-5-6-17(2)15(13)18/h3-4,7,12-13,16H,5-6,8-9H2,1-2H3
InChIKeyWOMODNXQSRVCCF-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 66360377
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
CID 66360581
2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
CID 114108224
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione
CID 66364542
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one (CID 106257211) is 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one is Cc1ccc2c(c1)CC(CNC1CCN(C)C1=O)O2.
What is the InChIKey of 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is WOMODNXQSRVCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-3-4-14-11(7-10)8-12(19-14)9-16-13-5-6-17(2)15(13)18/h3-4,7,12-13,16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one?
1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106257211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).