N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide

C20H25N3O3 — CID 56749981

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)cc(=O)oc2c1
InChIInChI=1S/C20H25N3O3/c1-13-3-4-17-14(9-20(25)26-18(17)7-13)8-19(24)21-15-10-16-12-22(2)5-6-23(16)11-15/h3-4,7,9,15-16H,5-6,8,10-12H2,1-2H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyRHOYHWRIAZYNSK-HOTGVXAUSA-N
MW355.44 g/mol
LogP1.15
Rot. Bonds3

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide (PubChem CID 56749981) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
PubChem CID56749981
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)cc(=O)oc2c1
InChIInChI=1S/C20H25N3O3/c1-13-3-4-17-14(9-20(25)26-18(17)7-13)8-19(24)21-15-10-16-12-22(2)5-6-23(16)11-15/h3-4,7,9,15-16H,5-6,8,10-12H2,1-2H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyRHOYHWRIAZYNSK-HOTGVXAUSA-N
XLogP1.15
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide with MolForge

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Related Compounds

N-(4,4-difluorocyclohexyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909746
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CID 171385232
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 56748113
7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
CID 41180165
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
3-(7-methyl-2-oxochromen-4-yl)-2-oxopropanoic acid
CID 12820491
7-methyl-4-[[3-(methylamino)piperidin-1-yl]methyl]chromen-2-one
CID 62547237
2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 171910173
2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
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CID 171388451

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide (CID 56749981) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide is Cc1ccc2c(CC(=O)N[C@H]3C[C@H]4CN(C)CCN4C3)cc(=O)oc2c1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The InChIKey is RHOYHWRIAZYNSK-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-3-4-17-14(9-20(25)26-18(17)7-13)8-19(24)21-15-10-16-12-22(2)5-6-23(16)11-15/h3-4,7,9,15-16H,5-6,8,10-12H2,1-2H3,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 56749981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).