6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen

C29H37N3O — CID 145369613

About 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen

6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen (PubChem CID 145369613) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
• PubChem CID: 145369613
• Molecular Formula: C29H37N3O
• Molecular Weight: 443.64 g/mol
• Exact Mass: 443.29
• IUPAC Name: 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen
• SMILES: C=C=C1c2c(C=C)c(=O)nc(CC3(c4ccc5c(c4)CCC5)CCCC3)n2CCN1C(C)C.[H][H]
• InChI: InChI=1S/C29H35N3O.H2/c1-5-24-27-25(6-2)31(20(3)4)16-17-32(27)26(30-28(24)33)19-29(14-7-8-15-29)23-13-12-21-10-9-11-22(21)18-23;/h5,12-13,18,20H,1-2,7-11,14-17,19H2,3-4H3;1H
• InChIKey: IUIYYBAUSCLKSE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 38.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.64
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?

The IUPAC name of 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen (CID 145369613) is 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen.

What is the SMILES notation for 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?

The canonical SMILES for 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen is C=C=C1c2c(C=C)c(=O)nc(CC3(c4ccc5c(c4)CCC5)CCCC3)n2CCN1C(C)C.[H][H].

What is the InChIKey of 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?

The InChIKey is IUIYYBAUSCLKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O.H2/c1-5-24-27-25(6-2)31(20(3)4)16-17-32(27)26(30-28(24)33)19-29(14-7-8-15-29)23-13-12-21-10-9-11-22(21)18-23;/h5,12-13,18,20H,1-2,7-11,14-17,19H2,3-4H3;1H.

What are the key properties of 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen?

6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen has a molecular weight of 443.64 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(2,3-dihydro-1H-inden-5-yl)cyclopentyl]methyl]-9-ethenyl-1-ethenylidene-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidin-8-one;molecular hydrogen is sourced from PubChem (CID 145369613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).