(10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C24H26N2O2 — CID 163023687

About (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

(10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 163023687) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

• Compound Name: (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
• PubChem CID: 163023687
• Molecular Formula: C24H26N2O2
• Molecular Weight: 374.48 g/mol
• Exact Mass: 374.20
• IUPAC Name: (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
• SMILES: C[C@@H]1Cc2ccc(C=C[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)cc2O1
• InChI: InChI=1S/C24H26N2O2/c1-16-14-18-9-8-17(15-21(18)28-16)10-12-24-23(2,3)19-6-4-5-7-20(19)26(24)13-11-22(27)25-24/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,25,27)/t16-,24-/m1/s1
• InChIKey: CGHSSTWUDYQZCM-VOIUYBSRSA-N
• XLogP: 4.04
• 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	374.48
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

The IUPAC name of (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 163023687) is (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

What is the SMILES notation for (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

The canonical SMILES for (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is C[C@@H]1Cc2ccc(C=C[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)cc2O1.

What is the InChIKey of (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

The InChIKey is CGHSSTWUDYQZCM-VOIUYBSRSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-14-18-9-8-17(15-21(18)28-16)10-12-24-23(2,3)19-6-4-5-7-20(19)26(24)13-11-22(27)25-24/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,25,27)/t16-,24-/m1/s1.

What are the key properties of (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

(10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10aR)-10,10-dimethyl-10a-[2-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 163023687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).