10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C22H24N2O — CID 5289847

IUPAC10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCc1ccc(/C=C/C23NC(=O)CCN2c2ccccc2C3(C)C)cc1
InChIInChI=1S/C22H24N2O/c1-16-8-10-17(11-9-16)12-14-22-21(2,3)18-6-4-5-7-19(18)24(22)15-13-20(25)23-22/h4-12,14H,13,15H2,1-3H3,(H,23,25)/b14-12+
InChIKeyRGBIEZDHXWWMHW-WYMLVPIESA-N
MW332.45 g/mol
LogP4.02
Rot. Bonds2

About 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 5289847) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID5289847
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESCc1ccc(/C=C/C23NC(=O)CCN2c2ccccc2C3(C)C)cc1
InChIInChI=1S/C22H24N2O/c1-16-8-10-17(11-9-16)12-14-22-21(2,3)18-6-4-5-7-19(18)24(22)15-13-20(25)23-22/h4-12,14H,13,15H2,1-3H3,(H,23,25)/b14-12+
InChIKeyRGBIEZDHXWWMHW-WYMLVPIESA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 5289847) is 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is Cc1ccc(/C=C/C23NC(=O)CCN2c2ccccc2C3(C)C)cc1.
What is the InChIKey of 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is RGBIEZDHXWWMHW-WYMLVPIESA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-8-10-17(11-9-16)12-14-22-21(2,3)18-6-4-5-7-19(18)24(22)15-13-20(25)23-22/h4-12,14H,13,15H2,1-3H3,(H,23,25)/b14-12+.
What are the key properties of 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 332.45 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-10a-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 5289847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).