(2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one

C20H25NO2 — CID 135018471

IUPAC(2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one
SMILESC[C@@H](c1ccccc1)N1C(=O)C=C2O[C@@H](C3CCCCC3)C[C@@H]21
InChIInChI=1S/C20H25NO2/c1-14(15-8-4-2-5-9-15)21-17-12-18(16-10-6-3-7-11-16)23-19(17)13-20(21)22/h2,4-5,8-9,13-14,16-18H,3,6-7,10-12H2,1H3/t14-,17-,18+/m0/s1
InChIKeyVEFADPRHJDINSW-JCGIZDLHSA-N
MW311.42 g/mol
LogP4.21
Rot. Bonds3

About (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one

(2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one (PubChem CID 135018471) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one
PubChem CID135018471
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name(2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one
SMILESC[C@@H](c1ccccc1)N1C(=O)C=C2O[C@@H](C3CCCCC3)C[C@@H]21
InChIInChI=1S/C20H25NO2/c1-14(15-8-4-2-5-9-15)21-17-12-18(16-10-6-3-7-11-16)23-19(17)13-20(21)22/h2,4-5,8-9,13-14,16-18H,3,6-7,10-12H2,1H3/t14-,17-,18+/m0/s1
InChIKeyVEFADPRHJDINSW-JCGIZDLHSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
The IUPAC name of (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one (CID 135018471) is (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
The canonical SMILES for (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one is C[C@@H](c1ccccc1)N1C(=O)C=C2O[C@@H](C3CCCCC3)C[C@@H]21.
What is the InChIKey of (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
The InChIKey is VEFADPRHJDINSW-JCGIZDLHSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(15-8-4-2-5-9-15)21-17-12-18(16-10-6-3-7-11-16)23-19(17)13-20(21)22/h2,4-5,8-9,13-14,16-18H,3,6-7,10-12H2,1H3/t14-,17-,18+/m0/s1.
What are the key properties of (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one?
(2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one has a molecular weight of 311.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS)-2-cyclohexyl-4-[(1S)-1-phenylethyl]-3,3a-dihydro-2H-furo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 135018471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).