(2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one

C17H21NO2 — CID 25257269

IUPAC(2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one
SMILESO=C1C=C(NCc2ccccc2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H21NO2/c19-16-11-15(18-12-13-7-3-1-4-8-13)17(20-16)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,17-18H,2,5-6,9-10,12H2/t17-/m1/s1
InChIKeyVMKCHNCNGUWNIM-QGZVFWFLSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds4

About (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one

(2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one (PubChem CID 25257269) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one
PubChem CID25257269
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one
SMILESO=C1C=C(NCc2ccccc2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H21NO2/c19-16-11-15(18-12-13-7-3-1-4-8-13)17(20-16)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,17-18H,2,5-6,9-10,12H2/t17-/m1/s1
InChIKeyVMKCHNCNGUWNIM-QGZVFWFLSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 684171
4-[(2-Phenylethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 685180
4-[(1-Phenylethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 2851262
(z)-Ethyl 3-(benzylamino)but-2-enoate
CID 11117536
Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride
CID 6435779
2-(N-Benzyl-N-methylamino)ethyl 3-amino-2-butenoate
CID 12529188
4-(Benzylamino)-3-ethylfuran-2(5H)-one
CID 307966
Ethyl 3-benzylamino-2-butenoate
CID 563425
Ethyl 3-(benzylamino)but-2-enoate
CID 5368598
4-(benzylamino)furan-2(5H)-one
CID 13402453
(3S)-3-phenyl-5-(trifluoromethyl)-3,4-dihydro-2H-1,4-oxazepin-7-one
CID 102287564
propan-2-yl (Z)-4,4,5,5,6,6,6-heptafluoro-3-(1-phenylethylamino)hex-2-enoate
CID 134870580

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one?
The IUPAC name of (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one (CID 25257269) is (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one is O=C1C=C(NCc2ccccc2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one?
The InChIKey is VMKCHNCNGUWNIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16-11-15(18-12-13-7-3-1-4-8-13)17(20-16)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,17-18H,2,5-6,9-10,12H2/t17-/m1/s1.
What are the key properties of (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one?
(2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one has a molecular weight of 271.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzylamino)-2-cyclohexyl-2H-furan-5-one is sourced from PubChem (CID 25257269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).