1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone

C19H18N6O3 — CID 92577777

About 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone

1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 92577777) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 92577777
• Molecular Formula: C19H18N6O3
• Molecular Weight: 378.39 g/mol
• Exact Mass: 378.14
• IUPAC Name: 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1
• InChI: InChI=1S/C19H18N6O3/c26-19(13-6-7-16-17(10-13)28-12-27-16)24-9-3-4-14(24)11-25-22-18(21-23-25)15-5-1-2-8-20-15/h1-2,5-8,10,14H,3-4,9,11-12H2/t14-/m0/s1
• InChIKey: ZGWSJWMDKFPXTM-AWEZNQCLSA-N
• XLogP: 1.77
• TPSA: 95.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.39
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 92577777) is 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1.

What is the InChIKey of 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is ZGWSJWMDKFPXTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-19(13-6-7-16-17(10-13)28-12-27-16)24-9-3-4-14(24)11-25-22-18(21-23-25)15-5-1-2-8-20-15/h1-2,5-8,10,14H,3-4,9,11-12H2/t14-/m0/s1.

What are the key properties of 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone?

1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 378.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92577777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).