(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one

C21H20N2O2 — CID 134959095

IUPAC(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESC=C[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)c2cc3ccccc3n21
InChIInChI=1S/C21H20N2O2/c1-3-17-14-22(13-15-8-10-18(25-2)11-9-15)21(24)20-12-16-6-4-5-7-19(16)23(17)20/h3-12,17H,1,13-14H2,2H3/t17-/m1/s1
InChIKeyNSLVPQFFPRJYNK-QGZVFWFLSA-N
MW332.40 g/mol
LogP4.03
Rot. Bonds4

About (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one

(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 134959095) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID134959095
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESC=C[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)c2cc3ccccc3n21
InChIInChI=1S/C21H20N2O2/c1-3-17-14-22(13-15-8-10-18(25-2)11-9-15)21(24)20-12-16-6-4-5-7-19(16)23(17)20/h3-12,17H,1,13-14H2,2H3/t17-/m1/s1
InChIKeyNSLVPQFFPRJYNK-QGZVFWFLSA-N
XLogP4.03
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one with MolForge

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Related Compounds

4-(3-diazo-2-oxopropyl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 132524792
(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one
CID 102400551
2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 101356806
4-hex-5-enyl-2-[(4-methoxyphenyl)methyl]-10-methyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 170859851
(5S,7R)-7-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 25023287
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
3-diazo-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 167436856
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(1R,5R)-6-[(4-methoxyphenyl)methyl]-8-prop-2-enyl-6,8-diazabicyclo[3.2.2]nonane
CID 44593719
6-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009677
4-but-3-enyl-2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3H-azepino[3,4-b]indole-1,5-dione
CID 101356800

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 134959095) is (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one is C=C[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)c2cc3ccccc3n21.
What is the InChIKey of (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is NSLVPQFFPRJYNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-17-14-22(13-15-8-10-18(25-2)11-9-15)21(24)20-12-16-6-4-5-7-19(16)23(17)20/h3-12,17H,1,13-14H2,2H3/t17-/m1/s1.
What are the key properties of (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one?
(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 332.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 134959095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).