5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one

C14H17NO2 — CID 143715156

IUPAC5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
SMILESCC(c1ccccc1)N1CC2COCC2C1=O
InChIInChI=1S/C14H17NO2/c1-10(11-5-3-2-4-6-11)15-7-12-8-17-9-13(12)14(15)16/h2-6,10,12-13H,7-9H2,1H3
InChIKeyOQJLNFVIKJURII-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.85
Rot. Bonds2

About 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one

5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one (PubChem CID 143715156) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
PubChem CID143715156
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one
SMILESCC(c1ccccc1)N1CC2COCC2C1=O
InChIInChI=1S/C14H17NO2/c1-10(11-5-3-2-4-6-11)15-7-12-8-17-9-13(12)14(15)16/h2-6,10,12-13H,7-9H2,1H3
InChIKeyOQJLNFVIKJURII-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one
CID 143715244
(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
CID 139095598
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409
(3aS,6aS)-2-[(1R)-1-phenylethyl]-1,3a,4,6a-tetrahydrocyclopenta[c]pyrrol-3-one
CID 141213114
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
(3R,4S)-3-fluoro-4-(1-methylcyclobutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 159987435
methyl (3S,4R)-4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 69172643
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
(6S)-6-methyl-4-[(1S)-1-phenylethyl]morpholine-2,5-dione
CID 10955462
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one?
The IUPAC name of 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one (CID 143715156) is 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one.
What is the SMILES notation for 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one?
The canonical SMILES for 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one is CC(c1ccccc1)N1CC2COCC2C1=O.
What is the InChIKey of 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one?
The InChIKey is OQJLNFVIKJURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(11-5-3-2-4-6-11)15-7-12-8-17-9-13(12)14(15)16/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one?
5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 143715156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).