(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

C15H18N4O2 — CID 124807428

IUPAC(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1C[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)N1CC1CC1
InChIInChI=1S/C15H18N4O2/c20-14-7-13-12(19(14)9-10-1-2-10)3-6-18(13)15(21)11-8-16-4-5-17-11/h4-5,8,10,12-13H,1-3,6-7,9H2/t12-,13-/m1/s1
InChIKeyVDWIHGGTOGXPGI-CHWSQXEVSA-N
MW286.33 g/mol
LogP0.70
Rot. Bonds3

About (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 124807428) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID124807428
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1C[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)N1CC1CC1
InChIInChI=1S/C15H18N4O2/c20-14-7-13-12(19(14)9-10-1-2-10)3-6-18(13)15(21)11-8-16-4-5-17-11/h4-5,8,10,12-13H,1-3,6-7,9H2/t12-,13-/m1/s1
InChIKeyVDWIHGGTOGXPGI-CHWSQXEVSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one with MolForge

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Related Compounds

(3aR,7aR)-4-(cyclopropylmethyl)-1-(pyridine-2-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97404055
(3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98820948
(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97402397
[(4R,4aS,7aS)-6-(cyclopropylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrazin-2-ylmethanone
CID 97420782
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyrazin-2-ylmethanone
CID 131641347
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
(3aR,7aR)-4-(oxan-4-ylmethyl)-1-(pyridine-3-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 124916304
[(3aR,6aS)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457905
(3aR,6aS)-1-(6-methylpyridine-2-carbonyl)-4-(pyridin-4-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124813072

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 124807428) is (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is O=C1C[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)N1CC1CC1.
What is the InChIKey of (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is VDWIHGGTOGXPGI-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-7-13-12(19(14)9-10-1-2-10)3-6-18(13)15(21)11-8-16-4-5-17-11/h4-5,8,10,12-13H,1-3,6-7,9H2/t12-,13-/m1/s1.
What are the key properties of (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 286.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 124807428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).