[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C11H20N2O2 — CID 102780530

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2)C1CO
InChIInChI=1S/C11H20N2O2/c1-8-4-6-13(10(8)7-14)11(15)9-3-2-5-12-9/h8-10,12,14H,2-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyFDQFGSMQPMAUBM-KYHHOPLUSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 102780530) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID102780530
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2)C1CO
InChIInChI=1S/C11H20N2O2/c1-8-4-6-13(10(8)7-14)11(15)9-3-2-5-12-9/h8-10,12,14H,2-7H2,1H3/t8?,9-,10?/m0/s1
InChIKeyFDQFGSMQPMAUBM-KYHHOPLUSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 102737963
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913359
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 102738003
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780572
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 102780530) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is CC1CCN(C(=O)[C@@H]2CCCN2)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is FDQFGSMQPMAUBM-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-4-6-13(10(8)7-14)11(15)9-3-2-5-12-9/h8-10,12,14H,2-7H2,1H3/t8?,9-,10?/m0/s1.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 102780530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).