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

C14H18N4O — CID 98820948

IUPAC(3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1C[C@@H]2[C@H](CCN2c2cnccn2)N1CC1CC1
InChIInChI=1S/C14H18N4O/c19-14-7-12-11(18(14)9-10-1-2-10)3-6-17(12)13-8-15-4-5-16-13/h4-5,8,10-12H,1-3,6-7,9H2/t11-,12+/m0/s1
InChIKeyZVLMHJFJJLPKEU-NWDGAFQWSA-N
MW258.32 g/mol
LogP1.07
Rot. Bonds3

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

(3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 98820948) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID98820948
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1C[C@@H]2[C@H](CCN2c2cnccn2)N1CC1CC1
InChIInChI=1S/C14H18N4O/c19-14-7-12-11(18(14)9-10-1-2-10)3-6-17(12)13-8-15-4-5-16-13/h4-5,8,10-12H,1-3,6-7,9H2/t11-,12+/m0/s1
InChIKeyZVLMHJFJJLPKEU-NWDGAFQWSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124807428
(3aS,6aR)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124792581
1-(5-fluoropyrimidin-2-yl)-4-(oxan-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 134690025
1-(cyclopropylmethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396887
1-(cyclopropylmethyl)-7-pyrazin-2-yl-1,7-diazaspiro[3.5]nonane
CID 97399221
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
2-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazine
CID 110269258
(3aR,7aR)-4-(cyclopropylmethyl)-1-(pyridine-2-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97404055
7-(ethoxymethyl)-4-pyrazin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 134078270
(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97402397
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95816974
(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 98820948) is (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is O=C1C[C@@H]2[C@H](CCN2c2cnccn2)N1CC1CC1.
What is the InChIKey of (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is ZVLMHJFJJLPKEU-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14-7-12-11(18(14)9-10-1-2-10)3-6-17(12)13-8-15-4-5-16-13/h4-5,8,10-12H,1-3,6-7,9H2/t11-,12+/m0/s1.
What are the key properties of (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
(3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 258.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4-(cyclopropylmethyl)-1-pyrazin-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 98820948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).