(2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one

C17H21NO2 — CID 134948252

IUPAC(2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@H](Nc2ccccc2)C2CCCCC2)O1
InChIInChI=1S/C17H21NO2/c19-16-12-11-15(20-16)17(13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h2,5-6,9-13,15,17-18H,1,3-4,7-8H2/t15-,17+/m0/s1
InChIKeyHXACWDVDTAWCTJ-DOTOQJQBSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds4

About (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one

(2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one (PubChem CID 134948252) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one
PubChem CID134948252
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@H](Nc2ccccc2)C2CCCCC2)O1
InChIInChI=1S/C17H21NO2/c19-16-12-11-15(20-16)17(13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h2,5-6,9-13,15,17-18H,1,3-4,7-8H2/t15-,17+/m0/s1
InChIKeyHXACWDVDTAWCTJ-DOTOQJQBSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 1-[(1R)-1-anilino-2-phenylethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835093
Dimethyl 4-(1-phenylazanylbut-3-enyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;hydrochloride
CID 3123751
dimethyl 1-[(1R)-1-anilinobutyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835087
dimethyl 1-[(1R)-1-anilinobut-3-enyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835072
dimethyl 1-[(1S)-1-anilino-2-phenylethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 46835077
4-(N-ethylanilino)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
CID 134935376
4-Anilino-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one
CID 134935377
(2S)-2-[(R)-anilino-(4-nitrophenyl)methyl]-2H-furan-5-one
CID 101484464
(2S)-2-[(R)-(4-bromoanilino)-phenylmethyl]-2H-furan-5-one
CID 102433362
(2S)-2-[(R)-(4-nitroanilino)-phenylmethyl]-2H-furan-5-one
CID 134839245
Ethyl 2-cyclohexyl-2-(phenylamino)acetate
CID 54889636
(2S)-2-[(R)-anilino(phenyl)methyl]-2H-furan-5-one
CID 102210152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one (CID 134948252) is (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@H](Nc2ccccc2)C2CCCCC2)O1.
What is the InChIKey of (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one?
The InChIKey is HXACWDVDTAWCTJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16-12-11-15(20-16)17(13-7-3-1-4-8-13)18-14-9-5-2-6-10-14/h2,5-6,9-13,15,17-18H,1,3-4,7-8H2/t15-,17+/m0/s1.
What are the key properties of (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one?
(2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one has a molecular weight of 271.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-anilino(cyclohexyl)methyl]-2H-furan-5-one is sourced from PubChem (CID 134948252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).