phenyl 2-methylpyrrolidine-1-carboxylate

C12H15NO2 — CID 64593255

IUPACphenyl 2-methylpyrrolidine-1-carboxylate
SMILESCC1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10-6-5-9-13(10)12(14)15-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyAGJKHUIRQWVGMH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.67
Rot. Bonds1

About phenyl 2-methylpyrrolidine-1-carboxylate

phenyl 2-methylpyrrolidine-1-carboxylate (PubChem CID 64593255) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is phenyl 2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-methylpyrrolidine-1-carboxylate
PubChem CID64593255
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namephenyl 2-methylpyrrolidine-1-carboxylate
SMILESCC1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10-6-5-9-13(10)12(14)15-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyAGJKHUIRQWVGMH-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl (2S)-2-methoxypyrrolidine-1-carboxylate
CID 129388318
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 79546809
phenyl 2-(2-phenylsulfanylpropan-2-yl)pyrrolidine-1-carboxylate
CID 11313852
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
diphenyl diazinane-1,2-dicarboxylate
CID 139696788

Frequently Asked Questions

What is the IUPAC name of phenyl 2-methylpyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-methylpyrrolidine-1-carboxylate (CID 64593255) is phenyl 2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-methylpyrrolidine-1-carboxylate is CC1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-methylpyrrolidine-1-carboxylate?
The InChIKey is AGJKHUIRQWVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-6-5-9-13(10)12(14)15-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of phenyl 2-methylpyrrolidine-1-carboxylate?
phenyl 2-methylpyrrolidine-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 64593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).