[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone

C19H27NO3 — CID 100699782

IUPAC[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C19H27NO3/c1-23-13-14-7-2-3-8-15(14)19(22)20-12-6-10-17(20)16-9-4-5-11-18(16)21/h2-3,7-8,16-18,21H,4-6,9-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyFTUOHKXZFMOVFR-KSZLIROESA-N
MW317.43 g/mol
LogP2.99
Rot. Bonds4

About [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone

[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone (PubChem CID 100699782) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
PubChem CID100699782
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C19H27NO3/c1-23-13-14-7-2-3-8-15(14)19(22)20-12-6-10-17(20)16-9-4-5-11-18(16)21/h2-3,7-8,16-18,21H,4-6,9-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyFTUOHKXZFMOVFR-KSZLIROESA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone with MolForge

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Related Compounds

[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 96500622
(3-ethyl-4-pyridinyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 128964092
(2-fluorophenyl)-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79537046
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 79539232
2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 129481116
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 79539006
[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762073
1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 129480992
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 79545002
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447632
(3-ethyl-1-methylpyrazol-4-yl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 102810898

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone (CID 100699782) is [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone is COCc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
The InChIKey is FTUOHKXZFMOVFR-KSZLIROESA-N. The full InChI is InChI=1S/C19H27NO3/c1-23-13-14-7-2-3-8-15(14)19(22)20-12-6-10-17(20)16-9-4-5-11-18(16)21/h2-3,7-8,16-18,21H,4-6,9-13H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone?
[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 100699782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).