5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one

C15H19NO2 — CID 113441329

IUPAC5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
SMILESCC1(C)Cc2cccc(CC3CCC(=O)N3)c2O1
InChIInChI=1S/C15H19NO2/c1-15(2)9-11-5-3-4-10(14(11)18-15)8-12-6-7-13(17)16-12/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyUGEOFAPOUZQSAR-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.22
Rot. Bonds2

About 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one

5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one (PubChem CID 113441329) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
PubChem CID113441329
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
SMILESCC1(C)Cc2cccc(CC3CCC(=O)N3)c2O1
InChIInChI=1S/C15H19NO2/c1-15(2)9-11-5-3-4-10(14(11)18-15)8-12-6-7-13(17)16-12/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyUGEOFAPOUZQSAR-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
CID 146573714
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115299994
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
CID 79879219
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylsulfonyl]cyclopentan-1-ol
CID 167952371

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one (CID 113441329) is 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one is CC1(C)Cc2cccc(CC3CCC(=O)N3)c2O1.
What is the InChIKey of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one?
The InChIKey is UGEOFAPOUZQSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)9-11-5-3-4-10(14(11)18-15)8-12-6-7-13(17)16-12/h3-5,12H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one?
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 113441329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).