[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C16H22N2O — CID 93373362

IUPAC[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C16H22N2O/c1-12-6-2-3-7-13(12)15-9-5-11-18(15)16(19)14-8-4-10-17-14/h2-3,6-7,14-15,17H,4-5,8-11H2,1H3/t14-,15-/m1/s1
InChIKeyUUEAOLKQZMLPMX-HUUCEWRRSA-N
MW258.36 g/mol
LogP2.41
Rot. Bonds2

About [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 93373362) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID93373362
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C16H22N2O/c1-12-6-2-3-7-13(12)15-9-5-11-18(15)16(19)14-8-4-10-17-14/h2-3,6-7,14-15,17H,4-5,8-11H2,1H3/t14-,15-/m1/s1
InChIKeyUUEAOLKQZMLPMX-HUUCEWRRSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908300
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119331250
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
3-amino-2,2-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 115426438
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
[2-(2-methylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185575
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 93373362) is [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is Cc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCCN1.
What is the InChIKey of [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is UUEAOLKQZMLPMX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-2-3-7-13(12)15-9-5-11-18(15)16(19)14-8-4-10-17-14/h2-3,6-7,14-15,17H,4-5,8-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 258.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 93373362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).