[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C11H20N2O2 — CID 104856469

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC1CC(CN)CN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C11H20N2O2/c1-8-5-9(6-12)7-13(8)11(14)10-3-2-4-15-10/h8-10H,2-7,12H2,1H3/t8?,9?,10-/m1/s1
InChIKeyVUUKJFJJJUJBCM-UDNWOFFPSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 104856469) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID104856469
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC1CC(CN)CN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C11H20N2O2/c1-8-5-9(6-12)7-13(8)11(14)10-3-2-4-15-10/h8-10H,2-7,12H2,1H3/t8?,9?,10-/m1/s1
InChIKeyVUUKJFJJJUJBCM-UDNWOFFPSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 115491882
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(azetidin-3-yl)methanone;hydrochloride
CID 130762786
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]but-2-yn-1-one
CID 107990772
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 130834478

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 104856469) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is CC1CC(CN)CN1C(=O)[C@H]1CCCO1.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is VUUKJFJJJUJBCM-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-9(6-12)7-13(8)11(14)10-3-2-4-15-10/h8-10H,2-7,12H2,1H3/t8?,9?,10-/m1/s1.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 212.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 104856469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).