4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C20H21N3O2 — CID 145081387

About 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 145081387) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 145081387
• Molecular Formula: C20H21N3O2
• Molecular Weight: 335.41 g/mol
• Exact Mass: 335.16
• IUPAC Name: 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: Cn1cc(C(=O)N2CCC(C3=CC4CC4C=C3)C2)c2cc[nH]c2c1=O
• InChI: InChI=1S/C20H21N3O2/c1-22-11-17(16-4-6-21-18(16)20(22)25)19(24)23-7-5-14(10-23)12-2-3-13-9-15(13)8-12/h2-4,6,8,11,13-15,21H,5,7,9-10H2,1H3
• InChIKey: GWYYJSAAHFCFIY-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 58.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.41
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 145081387) is 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(C(=O)N2CCC(C3=CC4CC4C=C3)C2)c2cc[nH]c2c1=O.

What is the InChIKey of 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is GWYYJSAAHFCFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-11-17(16-4-6-21-18(16)20(22)25)19(24)23-7-5-14(10-23)12-2-3-13-9-15(13)8-12/h2-4,6,8,11,13-15,21H,5,7,9-10H2,1H3.

What are the key properties of 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?

4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 335.41 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 145081387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).