4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one

C15H17NO2 — CID 10681691

IUPAC4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one
SMILESCC(C)c1ccc2oc(C3CNC(=O)C3)cc2c1
InChIInChI=1S/C15H17NO2/c1-9(2)10-3-4-13-11(5-10)6-14(18-13)12-7-15(17)16-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyFEDWOZAHUBFEII-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.16
Rot. Bonds2

About 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one

4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one (PubChem CID 10681691) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one
PubChem CID10681691
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one
SMILESCC(C)c1ccc2oc(C3CNC(=O)C3)cc2c1
InChIInChI=1S/C15H17NO2/c1-9(2)10-3-4-13-11(5-10)6-14(18-13)12-7-15(17)16-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChIKeyFEDWOZAHUBFEII-UHFFFAOYSA-N
XLogP3.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53468653
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
cyclopropyl[4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10109898
cyclopropyl[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10133949
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]-1-propanone
CID 11394346
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
N-Ethyl-alpha-methyl-5-benzofuranethanamine
CID 102336590
1-(Benzofuran-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561205
N-[[(1R)-2-[2-(4-phenylbutyl)-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide
CID 44394435
N-{2-[7-(3-Furyl)-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl]-ethyl}acetamide
CID 53238184
N-{3-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-propyl}-isobutyramide
CID 10022490
3-[2-(Acetylamino)ethyl]-1-benzofuran-5-carboxamide
CID 10198772

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one (CID 10681691) is 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one is CC(C)c1ccc2oc(C3CNC(=O)C3)cc2c1.
What is the InChIKey of 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one?
The InChIKey is FEDWOZAHUBFEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(2)10-3-4-13-11(5-10)6-14(18-13)12-7-15(17)16-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one?
4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 10681691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).