2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone

C12H21NO — CID 59628982

IUPAC2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCCC1)[C@@H]1CCCN1
InChIInChI=1S/C12H21NO/c14-12(11-7-4-8-13-11)9-10-5-2-1-3-6-10/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyYRAONGRHUQKNIV-NSHDSACASA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds3

About 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone

2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 59628982) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID59628982
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCCC1)[C@@H]1CCCN1
InChIInChI=1S/C12H21NO/c14-12(11-7-4-8-13-11)9-10-5-2-1-3-6-10/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyYRAONGRHUQKNIV-NSHDSACASA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone (CID 59628982) is 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone is O=C(CC1CCCCC1)[C@@H]1CCCN1.
What is the InChIKey of 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is YRAONGRHUQKNIV-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO/c14-12(11-7-4-8-13-11)9-10-5-2-1-3-6-10/h10-11,13H,1-9H2/t11-/m0/s1.
What are the key properties of 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone?
2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59628982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).