4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one

C14H13NO2 — CID 101419326

IUPAC4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
SMILESCN1C(=O)C(c2ccccc2)C1c1ccco1
InChIInChI=1S/C14H13NO2/c1-15-13(11-8-5-9-17-11)12(14(15)16)10-6-3-2-4-7-10/h2-9,12-13H,1H3
InChIKeyCZEGHKMRYSPLPT-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.58
Rot. Bonds2

About 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one

4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one (PubChem CID 101419326) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
PubChem CID101419326
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
SMILESCN1C(=O)C(c2ccccc2)C1c1ccco1
InChIInChI=1S/C14H13NO2/c1-15-13(11-8-5-9-17-11)12(14(15)16)10-6-3-2-4-7-10/h2-9,12-13H,1H3
InChIKeyCZEGHKMRYSPLPT-UHFFFAOYSA-N
XLogP2.58
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(furan-2-yl)-1,3-diphenylazetidin-2-one
CID 11346786
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(3R,3aR,6aS)-3-(furan-2-yl)-2-methyl-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 46901200
(2R,6S,7S,9R,13S,14S)-7,14-bis(furan-2-yl)-4,11-dimethyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124724599
(2R,5R)-5-benzyl-2-(furan-2-yl)-3-methylimidazolidin-4-one
CID 59628738
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
CID 122372877
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
(4S,4aS,5S,8aR)-4-(furan-2-yl)-3,5,8-trimethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 928007
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
(3R,3aS,6aR)-3-(furan-2-yl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 986941
3-(furan-2-yl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2865812

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one?
The IUPAC name of 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one (CID 101419326) is 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one?
The canonical SMILES for 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one is CN1C(=O)C(c2ccccc2)C1c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one?
The InChIKey is CZEGHKMRYSPLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-15-13(11-8-5-9-17-11)12(14(15)16)10-6-3-2-4-7-10/h2-9,12-13H,1H3.
What are the key properties of 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one?
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one is sourced from PubChem (CID 101419326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).