[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C13H24N2O — CID 118444545

IUPAC[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC(C)[C@@]1(C)CCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-10(2)13(3)6-8-15(9-13)12(16)11-5-4-7-14-11/h10-11,14H,4-9H2,1-3H3/t11-,13+/m1/s1
InChIKeyVABLQYKHJCHOIK-YPMHNXCESA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds2

About [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 118444545) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID118444545
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESCC(C)[C@@]1(C)CCN(C(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-10(2)13(3)6-8-15(9-13)12(16)11-5-4-7-14-11/h10-11,14H,4-9H2,1-3H3/t11-,13+/m1/s1
InChIKeyVABLQYKHJCHOIK-YPMHNXCESA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
(5R)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444543
(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 118444542
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
(3-methyl-3-phenylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 119337174
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
CID 107220195
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119333374

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 118444545) is [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is CC(C)[C@@]1(C)CCN(C(=O)[C@H]2CCCN2)C1.
What is the InChIKey of [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is VABLQYKHJCHOIK-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)13(3)6-8-15(9-13)12(16)11-5-4-7-14-11/h10-11,14H,4-9H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 118444545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).