(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

C17H23N3O3 — CID 66927406

IUPAC(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)C1CN2CC(O)C[C@@H]2CN1
InChIInChI=1S/C17H23N3O3/c21-12-7-11-8-18-15(10-20(11)9-12)17(22)19-14-5-6-23-16-4-2-1-3-13(14)16/h1-4,11-12,14-15,18,21H,5-10H2,(H,19,22)/t11-,12?,14-,15?/m1/s1
InChIKeyVVCGPFXJBNVOCF-CDMIUOQYSA-N
MW317.39 g/mol
LogP0.03
Rot. Bonds2

About (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 66927406) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID66927406
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)C1CN2CC(O)C[C@@H]2CN1
InChIInChI=1S/C17H23N3O3/c21-12-7-11-8-18-15(10-20(11)9-12)17(22)19-14-5-6-23-16-4-2-1-3-13(14)16/h1-4,11-12,14-15,18,21H,5-10H2,(H,19,22)/t11-,12?,14-,15?/m1/s1
InChIKeyVVCGPFXJBNVOCF-CDMIUOQYSA-N
XLogP0.03
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43709570
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
N-[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-7-(2,2,2-trifluoroethoxy)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 140561122
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
(3S)-1-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 51546866
N-(3,4-dihydro-2H-chromen-4-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891199
1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55825930
1-tert-butyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757191
N-(3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108733838
benzyl N-[(1S)-2-[(3S,7R,8aR)-3-[[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-(4,4-difluorocyclohexyl)-2-oxoethyl]carbamate
CID 71561861
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701

Frequently Asked Questions

What is the IUPAC name of (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 66927406) is (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(N[C@@H]1CCOc2ccccc21)C1CN2CC(O)C[C@@H]2CN1.
What is the InChIKey of (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is VVCGPFXJBNVOCF-CDMIUOQYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-12-7-11-8-18-15(10-20(11)9-12)17(22)19-14-5-6-23-16-4-2-1-3-13(14)16/h1-4,11-12,14-15,18,21H,5-10H2,(H,19,22)/t11-,12?,14-,15?/m1/s1.
What are the key properties of (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide?
(8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-hydroxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 66927406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).