(3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

C24H24N2O2 — CID 162941524

About (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

(3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 162941524) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

• Compound Name: (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
• PubChem CID: 162941524
• Molecular Formula: C24H24N2O2
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.18
• IUPAC Name: (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
• SMILES: CC1=C(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@H]2O1
• InChI: InChI=1S/C24H24N2O2/c1-16-17(14-18-8-4-7-11-21(18)28-16)12-13-24-23(2,3)19-9-5-6-10-20(19)26(24)15-22(27)25-24/h4-14,21H,15H2,1-3H3,(H,25,27)/t21-,24+/m1/s1
• InChIKey: JXSGLNRZTNLMMK-QPPBQGQZSA-N
• XLogP: 3.89
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The IUPAC name of (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 162941524) is (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

What is the SMILES notation for (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The canonical SMILES for (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is CC1=C(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)C=C2C=CC=C[C@H]2O1.

What is the InChIKey of (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The InChIKey is JXSGLNRZTNLMMK-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-17(14-18-8-4-7-11-21(18)28-16)12-13-24-23(2,3)19-9-5-6-10-20(19)26(24)15-22(27)25-24/h4-14,21H,15H2,1-3H3,(H,25,27)/t21-,24+/m1/s1.

What are the key properties of (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

(3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 162941524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).