5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C14H22FN3O2 — CID 131687047

IUPAC5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCN(C)CCN1CC2CN(C(=O)C3(F)CC3)CC2C1=O
InChIInChI=1S/C14H22FN3O2/c1-16(2)5-6-17-7-10-8-18(9-11(10)12(17)19)13(20)14(15)3-4-14/h10-11H,3-9H2,1-2H3
InChIKeyOFXMQJLYWJUJSZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.03
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 131687047) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID131687047
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCN(C)CCN1CC2CN(C(=O)C3(F)CC3)CC2C1=O
InChIInChI=1S/C14H22FN3O2/c1-16(2)5-6-17-7-10-8-18(9-11(10)12(17)19)13(20)14(15)3-4-14/h10-11H,3-9H2,1-2H3
InChIKeyOFXMQJLYWJUJSZ-UHFFFAOYSA-N
XLogP-0.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 131687047) is 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is CN(C)CCN1CC2CN(C(=O)C3(F)CC3)CC2C1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is OFXMQJLYWJUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-16(2)5-6-17-7-10-8-18(9-11(10)12(17)19)13(20)14(15)3-4-14/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 283.35 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-(1-fluorocyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 131687047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).