[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone

C16H21ClN2O2 — CID 124699248

IUPAC[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESO=C([C@@H]1CNCCO1)N1CCC[C@@H]1Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c17-14-6-2-1-4-12(14)10-13-5-3-8-19(13)16(20)15-11-18-7-9-21-15/h1-2,4,6,13,15,18H,3,5,7-11H2/t13-,15+/m1/s1
InChIKeyAJVBFJRISGFGEQ-HIFRSBDPSA-N
MW308.81 g/mol
LogP1.86
Rot. Bonds3

About [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone

[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone (PubChem CID 124699248) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
PubChem CID124699248
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESO=C([C@@H]1CNCCO1)N1CCC[C@@H]1Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c17-14-6-2-1-4-12(14)10-13-5-3-8-19(13)16(20)15-11-18-7-9-21-15/h1-2,4,6,13,15,18H,3,5,7-11H2/t13-,15+/m1/s1
InChIKeyAJVBFJRISGFGEQ-HIFRSBDPSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 122148242
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 107217729
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 62889814
2-[(2S)-1-[(2R)-morpholine-2-carbonyl]piperidin-2-yl]acetamide
CID 124699206
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
morpholin-2-yl-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119749313
morpholin-2-yl-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119860023
[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 94813125
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119897783
3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The IUPAC name of [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone (CID 124699248) is [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone.
What is the SMILES notation for [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The canonical SMILES for [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone is O=C([C@@H]1CNCCO1)N1CCC[C@@H]1Cc1ccccc1Cl.
What is the InChIKey of [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The InChIKey is AJVBFJRISGFGEQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-6-2-1-4-12(14)10-13-5-3-8-19(13)16(20)15-11-18-7-9-21-15/h1-2,4,6,13,15,18H,3,5,7-11H2/t13-,15+/m1/s1.
What are the key properties of [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone has a molecular weight of 308.81 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone is sourced from PubChem (CID 124699248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).