1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one

C18H20N2OS — CID 45175983

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccsc2)CN1C1Cc2ccccc2C1
InChIInChI=1S/C18H20N2OS/c21-18-9-16(19-10-13-5-6-22-12-13)11-20(18)17-7-14-3-1-2-4-15(14)8-17/h1-6,12,16-17,19H,7-11H2
InChIKeyKAXGAWQFYVRIDA-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.61
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 45175983) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
PubChem CID45175983
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccsc2)CN1C1Cc2ccccc2C1
InChIInChI=1S/C18H20N2OS/c21-18-9-16(19-10-13-5-6-22-12-13)11-20(18)17-7-14-3-1-2-4-15(14)8-17/h1-6,12,16-17,19H,7-11H2
InChIKeyKAXGAWQFYVRIDA-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45219735
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
CID 45196937
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-methylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45250962
1-(2,3-dihydro-1H-inden-2-yl)-4-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methylamino]pyrrolidin-2-one
CID 45193541
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 45220820
N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
1-(2,3-dihydro-1H-inden-2-yl)-4-(oxan-4-ylamino)pyrrolidin-2-one
CID 45212288
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 42193726

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one (CID 45175983) is 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2ccsc2)CN1C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is KAXGAWQFYVRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18-9-16(19-10-13-5-6-22-12-13)11-20(18)17-7-14-3-1-2-4-15(14)8-17/h1-6,12,16-17,19H,7-11H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 312.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 45175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).