3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione

C15H17NO3 — CID 155454979

IUPAC3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
SMILESC[C@H](c1ccccc1)N1CC2C(=O)OC(=O)C2(C)C1
InChIInChI=1S/C15H17NO3/c1-10(11-6-4-3-5-7-11)16-8-12-13(17)19-14(18)15(12,2)9-16/h3-7,10,12H,8-9H2,1-2H3/t10-,12?,15?/m1/s1
InChIKeyKDLRGDBMKVPHAD-CKQAKLJMSA-N
MW259.31 g/mol
LogP1.77
Rot. Bonds2

About 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione

3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione (PubChem CID 155454979) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
PubChem CID155454979
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
SMILESC[C@H](c1ccccc1)N1CC2C(=O)OC(=O)C2(C)C1
InChIInChI=1S/C15H17NO3/c1-10(11-6-4-3-5-7-11)16-8-12-13(17)19-14(18)15(12,2)9-16/h3-7,10,12H,8-9H2,1-2H3/t10-,12?,15?/m1/s1
InChIKeyKDLRGDBMKVPHAD-CKQAKLJMSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione with MolForge

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Related Compounds

(3aS,6aS)-5-benzyl-3a-methyl-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 129374464
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68945895
(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
CID 163632981
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine
CID 59203708
(1R,2R,5S,8R)-8-bromo-2-methyl-5-phenyl-10-[(1R)-1-phenylethyl]-3-oxa-6,10-diazatricyclo[6.3.0.02,6]undecan-7-one
CID 10599265
[5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl] acetate
CID 22417117
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione (CID 155454979) is 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione is C[C@H](c1ccccc1)N1CC2C(=O)OC(=O)C2(C)C1.
What is the InChIKey of 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
The InChIKey is KDLRGDBMKVPHAD-CKQAKLJMSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(11-6-4-3-5-7-11)16-8-12-13(17)19-14(18)15(12,2)9-16/h3-7,10,12H,8-9H2,1-2H3/t10-,12?,15?/m1/s1.
What are the key properties of 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 155454979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).