2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone

C11H20N2O2 — CID 3229576

IUPAC2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCC1CCCO1)N1CCCC1
InChIInChI=1S/C11H20N2O2/c14-11(13-5-1-2-6-13)9-12-8-10-4-3-7-15-10/h10,12H,1-9H2
InChIKeyGCKWXQDXZOFTJZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds4

About 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone

2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 3229576) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
PubChem CID3229576
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCC1CCCO1)N1CCCC1
InChIInChI=1S/C11H20N2O2/c14-11(13-5-1-2-6-13)9-12-8-10-4-3-7-15-10/h10,12H,1-9H2
InChIKeyGCKWXQDXZOFTJZ-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(morpholin-4-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3772791
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)oxamide
CID 2883327
N-[3-(dimethylamino)propyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3156710
Cambridge id 6818627
CID 2915101
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
N,N-Bis(1-methylethyl)-2-[[(tetrahydro-2-furanyl)methyl]amino]propanamide
CID 3229586
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3229427
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
1-(Azepan-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229577
2-(4-ethyl-1,4-diazepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53593110
2-[cyclopropylmethyl(methyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 71891933
N-methyl-2-[1-(oxolan-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 75504703

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone (CID 3229576) is 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone is O=C(CNCC1CCCO1)N1CCCC1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is GCKWXQDXZOFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(13-5-1-2-6-13)9-12-8-10-4-3-7-15-10/h10,12H,1-9H2.
What are the key properties of 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 212.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3229576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).