N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide

C13H23N3O2 — CID 103195731

IUPACN-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CC2NCCCC2C1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)15(3)12(17)8-16-7-11-10(13(16)18)5-4-6-14-11/h9-11,14H,4-8H2,1-3H3
InChIKeyBVRPXSYHIWWVJL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.06
Rot. Bonds3

About N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide

N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide (PubChem CID 103195731) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide
PubChem CID103195731
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CN1CC2NCCCC2C1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)15(3)12(17)8-16-7-11-10(13(16)18)5-4-6-14-11/h9-11,14H,4-8H2,1-3H3
InChIKeyBVRPXSYHIWWVJL-UHFFFAOYSA-N
XLogP0.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide with MolForge

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Related Compounds

6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195974
2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103195676
6-(4-methoxybutyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195752
6-[(4-propan-2-ylmorpholin-2-yl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195689
N-methyl-2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62310011
N,N-di(propan-2-yl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259221
N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 66073544
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dimethylacetamide
CID 102682474
2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63282746
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
6-[(2,5-dichlorophenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195679
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethyl-N-methylacetamide
CID 102683256

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide (CID 103195731) is N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CN1CC2NCCCC2C1=O.
What is the InChIKey of N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is BVRPXSYHIWWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)15(3)12(17)8-16-7-11-10(13(16)18)5-4-6-14-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide?
N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 253.35 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 103195731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).