1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone

C11H20N2O2 — CID 115893973

IUPAC1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCOC2C)C1
InChIInChI=1S/C11H20N2O2/c1-8-11(4-6-15-8)12-10-3-5-13(7-10)9(2)14/h8,10-12H,3-7H2,1-2H3
InChIKeyPKTBJKHWIQTDCB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds2

About 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone

1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 115893973) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID115893973
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCOC2C)C1
InChIInChI=1S/C11H20N2O2/c1-8-11(4-6-15-8)12-10-3-5-13(7-10)9(2)14/h8,10-12H,3-7H2,1-2H3
InChIKeyPKTBJKHWIQTDCB-UHFFFAOYSA-N
XLogP0.37
TPSA41.57 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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]methanone
CID 115335726
2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
CID 115335773
N-cyclohexyl-4-[[(2R,3R)-2-methyloxolan-3-yl]amino]piperidine-1-carboxamide
CID 97070585
N,N-dimethyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115338674
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[4-[(2,3-dimethylcyclopentyl)amino]piperidin-1-yl]ethanone
CID 64907781
1-[3-(tert-butylamino)pyrrolidin-1-yl]ethanone
CID 58945224
1-[3-(cyclopropylamino)piperidin-1-yl]ethanone
CID 66569302
N-(2-methyloxolan-3-yl)-1-propylpiperidin-4-amine
CID 115335615
4-methyl-N-(2-methyloxolan-3-yl)piperidine-1-carboxamide
CID 115869158
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone (CID 115893973) is 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(NC2CCOC2C)C1.
What is the InChIKey of 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is PKTBJKHWIQTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-11(4-6-15-8)12-10-3-5-13(7-10)9(2)14/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone?
1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methyloxolan-3-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115893973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).