(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H31N3O2 — CID 96575497

About (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96575497) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 96575497
• Molecular Formula: C20H31N3O2
• Molecular Weight: 345.49 g/mol
• Exact Mass: 345.24
• IUPAC Name: (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: CCN1C[C@@]2(CCCN(C(=O)c3cc(C)n(CC)c3C)C2)CCC1=O
• InChI: InChI=1S/C20H31N3O2/c1-5-21-13-20(10-8-18(21)24)9-7-11-22(14-20)19(25)17-12-15(3)23(6-2)16(17)4/h12H,5-11,13-14H2,1-4H3/t20-/m1/s1
• InChIKey: YHSZRTSUSXGYOD-HXUWFJFHSA-N
• XLogP: 2.99
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.49
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96575497) is (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@@]2(CCCN(C(=O)c3cc(C)n(CC)c3C)C2)CCC1=O.

What is the InChIKey of (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is YHSZRTSUSXGYOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-21-13-20(10-8-18(21)24)9-7-11-22(14-20)19(25)17-12-15(3)23(6-2)16(17)4/h12H,5-11,13-14H2,1-4H3/t20-/m1/s1.

What are the key properties of (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.49 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96575497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).