2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide

C15H25N3O — CID 102681815

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCCC2CNCC21)C1=CCCC1
InChIInChI=1S/C15H25N3O/c1-17(13-6-2-3-7-13)15(19)11-18-8-4-5-12-9-16-10-14(12)18/h6,12,14,16H,2-5,7-11H2,1H3
InChIKeyRULYBOLNCHTDHQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.20
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide

2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 102681815) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID102681815
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCCC2CNCC21)C1=CCCC1
InChIInChI=1S/C15H25N3O/c1-17(13-6-2-3-7-13)15(19)11-18-8-4-5-12-9-16-10-14(12)18/h6,12,14,16H,2-5,7-11H2,1H3
InChIKeyRULYBOLNCHTDHQ-UHFFFAOYSA-N
XLogP1.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide (CID 102681815) is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CN1CCCC2CNCC21)C1=CCCC1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is RULYBOLNCHTDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(13-6-2-3-7-13)15(19)11-18-8-4-5-12-9-16-10-14(12)18/h6,12,14,16H,2-5,7-11H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 102681815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).