5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one

C15H20N2O2 — CID 106701184

IUPAC5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one
SMILESCC1(C)Oc2ccccc2C1NCC1CCC(=O)N1
InChIInChI=1S/C15H20N2O2/c1-15(2)14(11-5-3-4-6-12(11)19-15)16-9-10-7-8-13(18)17-10/h3-6,10,14,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyZPSUNQRBMGIFNS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds3

About 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one

5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 106701184) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one
PubChem CID106701184
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one
SMILESCC1(C)Oc2ccccc2C1NCC1CCC(=O)N1
InChIInChI=1S/C15H20N2O2/c1-15(2)14(11-5-3-4-6-12(11)19-15)16-9-10-7-8-13(18)17-10/h3-6,10,14,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyZPSUNQRBMGIFNS-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one
CID 115532104
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
CID 60727404
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one
CID 113365132
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106336127
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one (CID 106701184) is 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one is CC1(C)Oc2ccccc2C1NCC1CCC(=O)N1.
What is the InChIKey of 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is ZPSUNQRBMGIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)14(11-5-3-4-6-12(11)19-15)16-9-10-7-8-13(18)17-10/h3-6,10,14,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one?
5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 106701184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).