(5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone

C16H24N2O3 — CID 133131614

About (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone

(5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 133131614) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

• Compound Name: (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
• PubChem CID: 133131614
• Molecular Formula: C16H24N2O3
• Molecular Weight: 292.38 g/mol
• Exact Mass: 292.18
• IUPAC Name: (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
• SMILES: CCc1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OC)[nH]1
• InChI: InChI=1S/C16H24N2O3/c1-3-11-4-5-12(17-11)15(20)18-8-6-16(7-9-18)13(19)10-14(16)21-2/h4-5,13-14,17,19H,3,6-10H2,1-2H3/t13-,14+/m0/s1
• InChIKey: LRVQYZDCTWBPKA-UONOGXRCSA-N
• XLogP: 1.58
• TPSA: 65.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.38
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The IUPAC name of (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 133131614) is (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone.

What is the SMILES notation for (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The canonical SMILES for (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone is CCc1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OC)[nH]1.

What is the InChIKey of (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The InChIKey is LRVQYZDCTWBPKA-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11-4-5-12(17-11)15(20)18-8-6-16(7-9-18)13(19)10-14(16)21-2/h4-5,13-14,17,19H,3,6-10H2,1-2H3/t13-,14+/m0/s1.

What are the key properties of (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?

(5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 133131614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).