(1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

C31H29N3O3 — CID 2009584

About (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

(1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (PubChem CID 2009584) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

Molecular Properties

• Compound Name: (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
• PubChem CID: 2009584
• Molecular Formula: C31H29N3O3
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.22
• IUPAC Name: (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
• SMILES: Cc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12
• InChI: InChI=1S/C31H29N3O3/c1-18-12-14-23-19(17-18)13-15-24-31(20-9-5-6-10-21(20)33-29(31)37)25(27(35)22-11-7-8-16-32-22)26(34(23)24)28(36)30(2,3)4/h5-17,24-26H,1-4H3,(H,33,37)/t24-,25-,26-,31+/m1/s1
• InChIKey: ZFCHLXCDLKDYCG-KUXNCQQFSA-N
• XLogP: 4.98
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

The IUPAC name of (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CID 2009584) is (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

What is the SMILES notation for (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

The canonical SMILES for (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is Cc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12.

What is the InChIKey of (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

The InChIKey is ZFCHLXCDLKDYCG-KUXNCQQFSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-18-12-14-23-19(17-18)13-15-24-31(20-9-5-6-10-21(20)33-29(31)37)25(27(35)22-11-7-8-16-32-22)26(34(23)24)28(36)30(2,3)4/h5-17,24-26H,1-4H3,(H,33,37)/t24-,25-,26-,31+/m1/s1.

What are the key properties of (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?

(1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has a molecular weight of 491.59 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is sourced from PubChem (CID 2009584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).