8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C29H29N3O — CID 3832558

About 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 3832558) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

• Compound Name: 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
• PubChem CID: 3832558
• Molecular Formula: C29H29N3O
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.23
• IUPAC Name: 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
• SMILES: Cc1ccc2c(c1)C(C)(C)C1(C=Cc3ccc4c(c3)c3ccccc3n4C)NC(=O)CCN21
• InChI: InChI=1S/C29H29N3O/c1-19-9-11-26-23(17-19)28(2,3)29(30-27(33)14-16-32(26)29)15-13-20-10-12-25-22(18-20)21-7-5-6-8-24(21)31(25)4/h5-13,15,17-18H,14,16H2,1-4H3,(H,30,33)
• InChIKey: QQAASYYAXUSHPT-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

The IUPAC name of 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 3832558) is 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

What is the SMILES notation for 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

The canonical SMILES for 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is Cc1ccc2c(c1)C(C)(C)C1(C=Cc3ccc4c(c3)c3ccccc3n4C)NC(=O)CCN21.

What is the InChIKey of 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

The InChIKey is QQAASYYAXUSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-19-9-11-26-23(17-19)28(2,3)29(30-27(33)14-16-32(26)29)15-13-20-10-12-25-22(18-20)21-7-5-6-8-24(21)31(25)4/h5-13,15,17-18H,14,16H2,1-4H3,(H,30,33).

What are the key properties of 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?

8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 435.57 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,10,10-trimethyl-10a-[2-(9-methylcarbazol-3-yl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 3832558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).