1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one

C15H24N2O2 — CID 129432850

IUPAC1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CN1CCCC1=O
InChIInChI=1S/C15H24N2O2/c1-11-9-13(11)15(19)17-8-3-2-5-12(17)10-16-7-4-6-14(16)18/h11-13H,2-10H2,1H3/t11-,12+,13+/m1/s1
InChIKeyLILKOXWQYHLSSE-AGIUHOORSA-N
MW264.37 g/mol
LogP1.65
Rot. Bonds3

About 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one

1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 129432850) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one
PubChem CID129432850
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CN1CCCC1=O
InChIInChI=1S/C15H24N2O2/c1-11-9-13(11)15(19)17-8-3-2-5-12(17)10-16-7-4-6-14(16)18/h11-13H,2-10H2,1H3/t11-,12+,13+/m1/s1
InChIKeyLILKOXWQYHLSSE-AGIUHOORSA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one (CID 129432850) is 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one is C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CN1CCCC1=O.
What is the InChIKey of 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is LILKOXWQYHLSSE-AGIUHOORSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-9-13(11)15(19)17-8-3-2-5-12(17)10-16-7-4-6-14(16)18/h11-13H,2-10H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one?
1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129432850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).