3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one

C10H18N2O2 — CID 103976421

IUPAC3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESCC(N)C1CCN(C2CCOC2=O)C1
InChIInChI=1S/C10H18N2O2/c1-7(11)8-2-4-12(6-8)9-3-5-14-10(9)13/h7-9H,2-6,11H2,1H3
InChIKeyVZLHZVGQNOBBAM-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds2

About 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one

3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one (PubChem CID 103976421) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one
PubChem CID103976421
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one
SMILESCC(N)C1CCN(C2CCOC2=O)C1
InChIInChI=1S/C10H18N2O2/c1-7(11)8-2-4-12(6-8)9-3-5-14-10(9)13/h7-9H,2-6,11H2,1H3
InChIKeyVZLHZVGQNOBBAM-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-aminoethyl)piperidin-1-yl]oxolan-2-one
CID 63597112
3-[2-(1-aminoethyl)morpholin-4-yl]oxolan-2-one
CID 115315441
3-ethyl-1-(2-oxooxolan-3-yl)piperidin-4-one
CID 114508850
methyl 1-(2-oxooxolan-3-yl)pyrrolidine-3-carboxylate
CID 112731457
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
(3S)-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)oxolan-2-one
CID 95284786
1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
CID 103975580
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 113360675

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one (CID 103976421) is 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one is CC(N)C1CCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one?
The InChIKey is VZLHZVGQNOBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(11)8-2-4-12(6-8)9-3-5-14-10(9)13/h7-9H,2-6,11H2,1H3.
What are the key properties of 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one?
3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)pyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 103976421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).