(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten

C14H17NO2W — CID 177462596

IUPAC(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten
SMILESCOC(=O)C1C(=[W])N(C(C)C)C1c1ccccc1
InChIInChI=1S/C14H17NO2.W/c1-10(2)15-9-12(14(16)17-3)13(15)11-7-5-4-6-8-11;/h4-8,10,12-13H,1-3H3;
InChIKeyQPMUUFYZGVXRFW-UHFFFAOYSA-N
MW415.14 g/mol
LogP1.92
Rot. Bonds3

About (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten

(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten (PubChem CID 177462596) has the molecular formula C14H17NO2W and a molecular weight of 415.14 g/mol. Its IUPAC name is (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten.

Molecular Properties

Compound Name(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten
PubChem CID177462596
Molecular FormulaC14H17NO2W
Molecular Weight415.14 g/mol
Exact Mass415.08
IUPAC Name(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten
SMILESCOC(=O)C1C(=[W])N(C(C)C)C1c1ccccc1
InChIInChI=1S/C14H17NO2.W/c1-10(2)15-9-12(14(16)17-3)13(15)11-7-5-4-6-8-11;/h4-8,10,12-13H,1-3H3;
InChIKeyQPMUUFYZGVXRFW-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
methyl (2S,3S)-1-acetyl-2-phenyl-2,3-dihydroindole-3-carboxylate
CID 11652283
methyl (2S,3R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylaziridine-2-carboxylate
CID 11186331
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
methyl (1R,3R,6S)-3-acetyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 98173141
methyl (1S,3S,6S)-3-acetyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 792850
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
dimethyl (2R,4R,5R)-1-hydroxy-5-phenylpyrrolidine-2,4-dicarboxylate
CID 102334992
5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 175254602

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten?
The IUPAC name of (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten (CID 177462596) is (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten.
What is the SMILES notation for (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten?
The canonical SMILES for (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten is COC(=O)C1C(=[W])N(C(C)C)C1c1ccccc1.
What is the InChIKey of (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten?
The InChIKey is QPMUUFYZGVXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.W/c1-10(2)15-9-12(14(16)17-3)13(15)11-7-5-4-6-8-11;/h4-8,10,12-13H,1-3H3;.
What are the key properties of (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten?
(3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten has a molecular weight of 415.14 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonyl-4-phenyl-1-propan-2-ylazetidin-2-ylidene)tungsten is sourced from PubChem (CID 177462596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).