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

C14H16N2O3 — CID 131640170

IUPAC1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESCOc1cccc(C(=O)N2CCC3NC(=O)CC32)c1
InChIInChI=1S/C14H16N2O3/c1-19-10-4-2-3-9(7-10)14(18)16-6-5-11-12(16)8-13(17)15-11/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,17)
InChIKeyPANOULLRDOADKC-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.80
Rot. Bonds2

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

1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (PubChem CID 131640170) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
PubChem CID131640170
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
SMILESCOc1cccc(C(=O)N2CCC3NC(=O)CC32)c1
InChIInChI=1S/C14H16N2O3/c1-19-10-4-2-3-9(7-10)14(18)16-6-5-11-12(16)8-13(17)15-11/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,17)
InChIKeyPANOULLRDOADKC-UHFFFAOYSA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorobenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131643478
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273189
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
1-(quinoline-6-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131644255
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 102787808
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 122152021
[(4R,4aS,7aS)-6-(cyclopropylmethyl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(3-methoxyphenyl)methanone
CID 97420788

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one (CID 131640170) is 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is COc1cccc(C(=O)N2CCC3NC(=O)CC32)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is PANOULLRDOADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-10-4-2-3-9(7-10)14(18)16-6-5-11-12(16)8-13(17)15-11/h2-4,7,11-12H,5-6,8H2,1H3,(H,15,17).
What are the key properties of 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one?
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 260.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 131640170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).