(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C13H17N3O4 — CID 95143432

IUPAC(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCOc1ccc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)o1
InChIInChI=1S/C13H17N3O4/c1-19-11-3-2-10(20-11)13(18)16-7-6-15-5-4-14-12(17)9(15)8-16/h2-3,9H,4-8H2,1H3,(H,14,17)/t9-/m1/s1
InChIKeyMUJVVBFUFBOVEV-SECBINFHSA-N
MW279.30 g/mol
LogP-0.46
Rot. Bonds2

About (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 95143432) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID95143432
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCOc1ccc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)o1
InChIInChI=1S/C13H17N3O4/c1-19-11-3-2-10(20-11)13(18)16-7-6-15-5-4-14-12(17)9(15)8-16/h2-3,9H,4-8H2,1H3,(H,14,17)/t9-/m1/s1
InChIKeyMUJVVBFUFBOVEV-SECBINFHSA-N
XLogP-0.46
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50980143
2-(2-methoxy-6-methylbenzoyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50985377
(9aS)-2-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95201666
(9aR)-N-(3,4-dimethoxyphenyl)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95136455
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72850063
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 133133676
ethyl 4-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45185738
tert-butyl (9aR)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 97111995
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
(9aR)-2-[4-(butylsulfanylmethyl)-5-methylfuran-2-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 125158161
(9aS)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95131200
2-(3-methyl-4-morpholin-4-ylbenzoyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50950838

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 95143432) is (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is COc1ccc(C(=O)N2CCN3CCNC(=O)[C@H]3C2)o1.
What is the InChIKey of (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is MUJVVBFUFBOVEV-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-11-3-2-10(20-11)13(18)16-7-6-15-5-4-14-12(17)9(15)8-16/h2-3,9H,4-8H2,1H3,(H,14,17)/t9-/m1/s1.
What are the key properties of (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 279.30 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95143432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).