2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one

C16H24N2O2 — CID 134071351

IUPAC2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
SMILESCc1ccc(CN2CC3CN(C(=O)C(C)C)CC3C2)o1
InChIInChI=1S/C16H24N2O2/c1-11(2)16(19)18-8-13-6-17(7-14(13)9-18)10-15-5-4-12(3)20-15/h4-5,11,13-14H,6-10H2,1-3H3
InChIKeyNRGFHLXCXMEXDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one

2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one (PubChem CID 134071351) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
PubChem CID134071351
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
SMILESCc1ccc(CN2CC3CN(C(=O)C(C)C)CC3C2)o1
InChIInChI=1S/C16H24N2O2/c1-11(2)16(19)18-8-13-6-17(7-14(13)9-18)10-15-5-4-12(3)20-15/h4-5,11,13-14H,6-10H2,1-3H3
InChIKeyNRGFHLXCXMEXDB-UHFFFAOYSA-N
XLogP2.13
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one with MolForge

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Related Compounds

(3S,4S)-1-[(5-methylfuran-2-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72907448
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
2-[(3aS,7aS)-2-[(5-methylfuran-2-yl)methyl]-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-N,N-dimethylacetamide
CID 124807020
(3aR,5S,6S,7aS)-5,6-dihydroxy-N-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 119066300
(2R,3aS,6aS)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127023734
2-[(3aR,7S,7aS)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-cyclopropylacetamide
CID 97379989
2-[(1R,5S)-3-[(5-methylfuran-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 155852639
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131648483
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one (CID 134071351) is 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one is Cc1ccc(CN2CC3CN(C(=O)C(C)C)CC3C2)o1.
What is the InChIKey of 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
The InChIKey is NRGFHLXCXMEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)16(19)18-8-13-6-17(7-14(13)9-18)10-15-5-4-12(3)20-15/h4-5,11,13-14H,6-10H2,1-3H3.
What are the key properties of 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one?
2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one is sourced from PubChem (CID 134071351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).