7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C24H21N3O3 — CID 158597603

IUPAC7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC=CC(=O)N1CCc2ccc(CC(=O)c3ccc4cc5n(c4c3)CCNC5=O)cc21
InChIInChI=1S/C24H21N3O3/c1-2-23(29)27-9-7-16-4-3-15(11-19(16)27)12-22(28)18-6-5-17-13-21-24(30)25-8-10-26(21)20(17)14-18/h2-6,11,13-14H,1,7-10,12H2,(H,25,30)
InChIKeyUWPKHCYLUKSYSH-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.89
Rot. Bonds4

About 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 158597603) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID158597603
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC=CC(=O)N1CCc2ccc(CC(=O)c3ccc4cc5n(c4c3)CCNC5=O)cc21
InChIInChI=1S/C24H21N3O3/c1-2-23(29)27-9-7-16-4-3-15(11-19(16)27)12-22(28)18-6-5-17-13-21-24(30)25-8-10-26(21)20(17)14-18/h2-6,11,13-14H,1,7-10,12H2,(H,25,30)
InChIKeyUWPKHCYLUKSYSH-UHFFFAOYSA-N
XLogP2.89
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 148799982
7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 144714898
1-oxo-N-(1-prop-2-enoylpiperidin-3-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597413
1-oxo-N-[(1S,2R)-2-(prop-2-enoylamino)cyclohexyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597392
1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57394084
7-[2-(3,3-dimethyl-4-prop-2-enoyl-2H-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 160712668
2-[2-oxo-2-(1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-8-yl)ethyl]benzamide;1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxylic acid
CID 158158902
N-[(3R,4R)-4-methyl-1-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)piperidin-3-yl]prop-2-enamide
CID 90462047
8-[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 162078419
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872
8-[4-(3-acetylphenyl)butanoyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 123763165
8-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)acetyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 161324832

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 158597603) is 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is C=CC(=O)N1CCc2ccc(CC(=O)c3ccc4cc5n(c4c3)CCNC5=O)cc21.
What is the InChIKey of 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is UWPKHCYLUKSYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-2-23(29)27-9-7-16-4-3-15(11-19(16)27)12-22(28)18-6-5-17-13-21-24(30)25-8-10-26(21)20(17)14-18/h2-6,11,13-14H,1,7-10,12H2,(H,25,30).
What are the key properties of 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 399.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 158597603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).