4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one

C8H16N2O3 — CID 168699407

IUPAC4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
SMILESCOC(CN1CC(N)CC1=O)OC
InChIInChI=1S/C8H16N2O3/c1-12-8(13-2)5-10-4-6(9)3-7(10)11/h6,8H,3-5,9H2,1-2H3
InChIKeyAKVCJJVTQRJJFZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.84
Rot. Bonds4

About 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one

4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one (PubChem CID 168699407) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
PubChem CID168699407
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
SMILESCOC(CN1CC(N)CC1=O)OC
InChIInChI=1S/C8H16N2O3/c1-12-8(13-2)5-10-4-6(9)3-7(10)11/h6,8H,3-5,9H2,1-2H3
InChIKeyAKVCJJVTQRJJFZ-UHFFFAOYSA-N
XLogP-0.84
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82675148
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
CID 53396184
4-(bromomethyl)-1-(2,2-diethoxyethyl)pyrrolidin-2-one
CID 168503820
2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid
CID 168700166
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
CID 82021991
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119
4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
CID 112514914

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one (CID 168699407) is 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one is COC(CN1CC(N)CC1=O)OC.
What is the InChIKey of 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one?
The InChIKey is AKVCJJVTQRJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-8(13-2)5-10-4-6(9)3-7(10)11/h6,8H,3-5,9H2,1-2H3.
What are the key properties of 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one?
4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one has a molecular weight of 188.23 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 168699407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).