4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one

C12H16N2O2 — CID 106184665

IUPAC4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCCc3occc32)CN1
InChIInChI=1S/C12H16N2O2/c15-12-6-8(7-13-12)14-10-2-1-3-11-9(10)4-5-16-11/h4-5,8,10,14H,1-3,6-7H2,(H,13,15)
InChIKeyLOICNSWAICKSTC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.14
Rot. Bonds2

About 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one (PubChem CID 106184665) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
PubChem CID106184665
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2CCCc3occc32)CN1
InChIInChI=1S/C12H16N2O2/c15-12-6-8(7-13-12)14-10-2-1-3-11-9(10)4-5-16-11/h4-5,8,10,14H,1-3,6-7H2,(H,13,15)
InChIKeyLOICNSWAICKSTC-UHFFFAOYSA-N
XLogP1.14
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
(4R)-4-[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124625414
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
CID 64990494
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106181808
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-4-amine
CID 43208258
N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106183597
N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107428026
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466591
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepan-4-amine
CID 65074136

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one (CID 106184665) is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one is O=C1CC(NC2CCCc3occc32)CN1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one?
The InChIKey is LOICNSWAICKSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12-6-8(7-13-12)14-10-2-1-3-11-9(10)4-5-16-11/h4-5,8,10,14H,1-3,6-7H2,(H,13,15).
What are the key properties of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one?
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106184665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).