1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

C14H16N2O2 — CID 131650972

IUPAC1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1CC2C(CCN2C(=O)Cc2ccccc2)N1
InChIInChI=1S/C14H16N2O2/c17-13-9-12-11(15-13)6-7-16(12)14(18)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,17)
InChIKeyZGXNKZDWXQXCAA-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (PubChem CID 131650972) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
PubChem CID131650972
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1CC2C(CCN2C(=O)Cc2ccccc2)N1
InChIInChI=1S/C14H16N2O2/c17-13-9-12-11(15-13)6-7-16(12)14(18)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,17)
InChIKeyZGXNKZDWXQXCAA-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylpropanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 134074365
1-benzylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131652548
1-[(3aS,6aR)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-2-phenylethanone
CID 97459058
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-(3-fluorobenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131643478
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
1-[(3aS,6aR)-4-[2-(4-hydroxyphenoxy)acetyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-2-phenylethanone
CID 171679616
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
(3aR,7aR)-4-(2-methoxyethyl)-1-(2-phenylacetyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460734
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131640170
1-[(1S,2S,6S,7S)-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl]-2-phenylethanone
CID 125455519
(3aR,8aR)-1-benzyl-2,3,3a,4,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-5-one
CID 84819083

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (CID 131650972) is 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is O=C1CC2C(CCN2C(=O)Cc2ccccc2)N1.
What is the InChIKey of 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is ZGXNKZDWXQXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-9-12-11(15-13)6-7-16(12)14(18)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,17).
What are the key properties of 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 244.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 131650972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).