[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

C10H18N2O2 — CID 103950474

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H18N2O2/c1-7-4-11-5-9(7)10(14)12-3-2-8(13)6-12/h7-9,11,13H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyKXTLLXWYCHMVOS-QJAFJHJLSA-N
MW198.27 g/mol
LogP-0.56
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 103950474) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
PubChem CID103950474
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H18N2O2/c1-7-4-11-5-9(7)10(14)12-3-2-8(13)6-12/h7-9,11,13H,2-6H2,1H3/t7?,8-,9?/m1/s1
InChIKeyKXTLLXWYCHMVOS-QJAFJHJLSA-N
XLogP-0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63715081
[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107222989
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107220773
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 55228818
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
2-methyl-N-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 63715305

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (CID 103950474) is [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is KXTLLXWYCHMVOS-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-4-11-5-9(7)10(14)12-3-2-8(13)6-12/h7-9,11,13H,2-6H2,1H3/t7?,8-,9?/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 103950474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).