methyl 4-phenylimidazolidine-2-carboxylate

C11H14N2O2 — CID 121274928

IUPACmethyl 4-phenylimidazolidine-2-carboxylate
SMILESCOC(=O)C1NCC(c2ccccc2)N1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-12-7-9(13-10)8-5-3-2-4-6-8/h2-6,9-10,12-13H,7H2,1H3
InChIKeyQICBZRUZICLSSK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.42
Rot. Bonds2

About methyl 4-phenylimidazolidine-2-carboxylate

methyl 4-phenylimidazolidine-2-carboxylate (PubChem CID 121274928) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 4-phenylimidazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylimidazolidine-2-carboxylate
PubChem CID121274928
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 4-phenylimidazolidine-2-carboxylate
SMILESCOC(=O)C1NCC(c2ccccc2)N1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-12-7-9(13-10)8-5-3-2-4-6-8/h2-6,9-10,12-13H,7H2,1H3
InChIKeyQICBZRUZICLSSK-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
methyl (2S,4R)-2-phenylpiperidine-4-carboxylate
CID 51441743
acetic acid;2,5-diphenylpiperazine
CID 157254746
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl 4-phenylpyrazolidine-3-carboxylate
CID 73198673
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl (2S,3S,6S)-2-methyl-4-oxo-6-phenylpiperidine-3-carboxylate
CID 102519097
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl 2-oxo-5-phenylcyclohexane-1-carboxylate
CID 77230423

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenylimidazolidine-2-carboxylate?
The IUPAC name of methyl 4-phenylimidazolidine-2-carboxylate (CID 121274928) is methyl 4-phenylimidazolidine-2-carboxylate.
What is the SMILES notation for methyl 4-phenylimidazolidine-2-carboxylate?
The canonical SMILES for methyl 4-phenylimidazolidine-2-carboxylate is COC(=O)C1NCC(c2ccccc2)N1.
What is the InChIKey of methyl 4-phenylimidazolidine-2-carboxylate?
The InChIKey is QICBZRUZICLSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-12-7-9(13-10)8-5-3-2-4-6-8/h2-6,9-10,12-13H,7H2,1H3.
What are the key properties of methyl 4-phenylimidazolidine-2-carboxylate?
methyl 4-phenylimidazolidine-2-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylimidazolidine-2-carboxylate is sourced from PubChem (CID 121274928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).