3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one

C13H24N2O — CID 81384940

IUPAC3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
SMILESC[C@H](NC1CCN(C)C1=O)C1CCCCC1
InChIInChI=1S/C13H24N2O/c1-10(11-6-4-3-5-7-11)14-12-8-9-15(2)13(12)16/h10-12,14H,3-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyBIYYJKVNCVUPDG-NUHJPDEHSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one

3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 81384940) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
PubChem CID81384940
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one
SMILESC[C@H](NC1CCN(C)C1=O)C1CCCCC1
InChIInChI=1S/C13H24N2O/c1-10(11-6-4-3-5-7-11)14-12-8-9-15(2)13(12)16/h10-12,14H,3-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyBIYYJKVNCVUPDG-NUHJPDEHSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one (CID 81384940) is 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one is C[C@H](NC1CCN(C)C1=O)C1CCCCC1.
What is the InChIKey of 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is BIYYJKVNCVUPDG-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(11-6-4-3-5-7-11)14-12-8-9-15(2)13(12)16/h10-12,14H,3-9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one?
3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-cyclohexylethyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 81384940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).