(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone

C16H28N2O2 — CID 146209701

IUPAC(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone
SMILESCN[C@H](C(=O)N1CCC[C@@]1(C)C(C)=O)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-12(19)16(2)10-7-11-18(16)15(20)14(17-3)13-8-5-4-6-9-13/h13-14,17H,4-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyDICSOQXUFALLCY-HOCLYGCPSA-N
MW280.41 g/mol
LogP2.12
Rot. Bonds4

About (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone

(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone (PubChem CID 146209701) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone
PubChem CID146209701
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone
SMILESCN[C@H](C(=O)N1CCC[C@@]1(C)C(C)=O)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-12(19)16(2)10-7-11-18(16)15(20)14(17-3)13-8-5-4-6-9-13/h13-14,17H,4-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyDICSOQXUFALLCY-HOCLYGCPSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
The IUPAC name of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone (CID 146209701) is (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone.
What is the SMILES notation for (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
The canonical SMILES for (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone is CN[C@H](C(=O)N1CCC[C@@]1(C)C(C)=O)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
The InChIKey is DICSOQXUFALLCY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(19)16(2)10-7-11-18(16)15(20)14(17-3)13-8-5-4-6-9-13/h13-14,17H,4-11H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone has a molecular weight of 280.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone is sourced from PubChem (CID 146209701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).