3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one

C13H18N2OS — CID 106253082

IUPAC3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC(c2cccs2)C2CC2)C1=O
InChIInChI=1S/C13H18N2OS/c1-15-7-6-10(13(15)16)14-12(9-4-5-9)11-3-2-8-17-11/h2-3,8-10,12,14H,4-7H2,1H3
InChIKeyXRELNODKHIQWLE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.02
Rot. Bonds4

About 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one

3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106253082) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one
PubChem CID106253082
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC(c2cccs2)C2CC2)C1=O
InChIInChI=1S/C13H18N2OS/c1-15-7-6-10(13(15)16)14-12(9-4-5-9)11-3-2-8-17-11/h2-3,8-10,12,14H,4-7H2,1H3
InChIKeyXRELNODKHIQWLE-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
CID 81407977
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
N-[cyclopropyl(thiophen-2-yl)methyl]-2-propylcyclopropan-1-amine
CID 115898671
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113350069
1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
CID 81374524

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one (CID 106253082) is 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one is CN1CCC(NC(c2cccs2)C2CC2)C1=O.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is XRELNODKHIQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15-7-6-10(13(15)16)14-12(9-4-5-9)11-3-2-8-17-11/h2-3,8-10,12,14H,4-7H2,1H3.
What are the key properties of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one?
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).