7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one

C28H28N2O — CID 11742203

IUPAC7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one
SMILESO=C1C(=C(c2ccccc2)c2ccccc2)CCC2CN(Cc3ccccc3)CCN12
InChIInChI=1S/C28H28N2O/c31-28-26(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)17-16-25-21-29(18-19-30(25)28)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2
InChIKeyHHDSUGHPNQBICG-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.00
Rot. Bonds4

About 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one

7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one (PubChem CID 11742203) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one
PubChem CID11742203
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one
SMILESO=C1C(=C(c2ccccc2)c2ccccc2)CCC2CN(Cc3ccccc3)CCN12
InChIInChI=1S/C28H28N2O/c31-28-26(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)17-16-25-21-29(18-19-30(25)28)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2
InChIKeyHHDSUGHPNQBICG-UHFFFAOYSA-N
XLogP5.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 10023572
(4aR)-3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68803609
2-[(3-hydroxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82983386
(11aR)-2-benzyl-10-(trifluoromethyl)-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-6-one;2,2,2-trifluoroacetic acid
CID 87540884
2-phenacyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863471
(6aR)-8-benzyl-3-bromo-4-ethyl-5,6,6a,7,9,10-hexahydropyrazino[1,2-a][1,8]naphthyridine
CID 134265673
3-benzyl-7-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a][1,5]benzodiazepine
CID 67001528
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661797
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069

Frequently Asked Questions

What is the IUPAC name of 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one (CID 11742203) is 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one is O=C1C(=C(c2ccccc2)c2ccccc2)CCC2CN(Cc3ccccc3)CCN12.
What is the InChIKey of 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one?
The InChIKey is HHDSUGHPNQBICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c31-28-26(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)17-16-25-21-29(18-19-30(25)28)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2.
What are the key properties of 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one?
7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one has a molecular weight of 408.55 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 11742203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).