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

C10H18N2O2 — CID 104747033

IUPAC1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
SMILESNC(CN1CCCC1=O)C1CCOC1
InChIInChI=1S/C10H18N2O2/c11-9(8-3-5-14-7-8)6-12-4-1-2-10(12)13/h8-9H,1-7,11H2
InChIKeyXBRQEZCZVNVRCZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds3

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

1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 104747033) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
PubChem CID104747033
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
SMILESNC(CN1CCCC1=O)C1CCOC1
InChIInChI=1S/C10H18N2O2/c11-9(8-3-5-14-7-8)6-12-4-1-2-10(12)13/h8-9H,1-7,11H2
InChIKeyXBRQEZCZVNVRCZ-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 ≤ 103

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Related Compounds

2-methyl-N-[2-[(3S)-oxolan-3-yl]ethyl]-2-pyrrolidin-1-ylpropanamide
CID 125435942
(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one
CID 67498220
1-[2-amino-2-(oxolan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 70814792
N-[2-(oxan-4-yl)ethyl]-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 144023072
N-[1-[3-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylbutan-2-yl]-2-methylpropanamide
CID 169251698
1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone
CID 170218602
2-[(3R)-3-(2-ethoxyethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 175626327
2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 54874253
1-[2-(Oxolan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 60935631
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 61164971
(2S)-2-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 61172348
3-Amino-1-(oxan-3-ylmethyl)pyrrolidin-2-one
CID 61868344

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one (CID 104747033) is 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one is NC(CN1CCCC1=O)C1CCOC1.
What is the InChIKey of 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is XBRQEZCZVNVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9(8-3-5-14-7-8)6-12-4-1-2-10(12)13/h8-9H,1-7,11H2.
What are the key properties of 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one?
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 104747033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).