(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one

C15H19NO2 — CID 143715244

IUPAC(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one
SMILESC[C@H](c1ccccc1)N1C[C@@H]2CCOC[C@@H]2C1=O
InChIInChI=1S/C15H19NO2/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-18-10-14(13)15(16)17/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14+/m1/s1
InChIKeyGEHFEQLGNOOPRN-XBFCOCLRSA-N
MW245.32 g/mol
LogP2.24
Rot. Bonds2

About (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one

(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one (PubChem CID 143715244) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one
PubChem CID143715244
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one
SMILESC[C@H](c1ccccc1)N1C[C@@H]2CCOC[C@@H]2C1=O
InChIInChI=1S/C15H19NO2/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-18-10-14(13)15(16)17/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14+/m1/s1
InChIKeyGEHFEQLGNOOPRN-XBFCOCLRSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one with MolForge

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Related Compounds

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(3aS,6aS)-2-[(1R)-1-phenylethyl]-1,3a,4,6a-tetrahydrocyclopenta[c]pyrrol-3-one
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CID 58335409
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CID 150323599
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
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(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one?
The IUPAC name of (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one (CID 143715244) is (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one.
What is the SMILES notation for (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one?
The canonical SMILES for (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one is C[C@H](c1ccccc1)N1C[C@@H]2CCOC[C@@H]2C1=O.
What is the InChIKey of (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one?
The InChIKey is GEHFEQLGNOOPRN-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-18-10-14(13)15(16)17/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14+/m1/s1.
What are the key properties of (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one?
(3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-[(1R)-1-phenylethyl]-1,3a,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3-one is sourced from PubChem (CID 143715244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).