[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone

C12H21NO2 — CID 14127584

IUPAC[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCC[C@@H]1CO)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-9-10-5-1-2-6-11(10)12(15)13-7-3-4-8-13/h10-11,14H,1-9H2/t10-,11+/m1/s1
InChIKeyIPUJFHMGTQFTHV-MNOVXSKESA-N
MW211.30 g/mol
LogP1.41
Rot. Bonds2

About [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone

[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone (PubChem CID 14127584) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
PubChem CID14127584
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCC[C@@H]1CO)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-9-10-5-1-2-6-11(10)12(15)13-7-3-4-8-13/h10-11,14H,1-9H2/t10-,11+/m1/s1
InChIKeyIPUJFHMGTQFTHV-MNOVXSKESA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone (CID 14127584) is [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CCCC[C@@H]1CO)N1CCCC1.
What is the InChIKey of [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IPUJFHMGTQFTHV-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-10-5-1-2-6-11(10)12(15)13-7-3-4-8-13/h10-11,14H,1-9H2/t10-,11+/m1/s1.
What are the key properties of [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone has a molecular weight of 211.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 14127584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).