[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone

C11H20N2O2 — CID 79758718

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCC(CN)C1
InChIInChI=1S/C11H20N2O2/c1-8-10(3-5-15-8)11(14)13-4-2-9(6-12)7-13/h8-10H,2-7,12H2,1H3
InChIKeyVSPDSLZMEMFESI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.22
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone (PubChem CID 79758718) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
PubChem CID79758718
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCC(CN)C1
InChIInChI=1S/C11H20N2O2/c1-8-10(3-5-15-8)11(14)13-4-2-9(6-12)7-13/h8-10H,2-7,12H2,1H3
InChIKeyVSPDSLZMEMFESI-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
[4-(2-aminoethyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79750219
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 80660660
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 115315098
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 82701710
[4-(5-aminopentyl)piperazin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79750598

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone (CID 79758718) is [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The InChIKey is VSPDSLZMEMFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-10(3-5-15-8)11(14)13-4-2-9(6-12)7-13/h8-10H,2-7,12H2,1H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79758718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).