ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate

C17H17NO2 — CID 12969908

IUPACethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Cc2ccc(C)n21
InChIInChI=1S/C17H17NO2/c1-3-20-17(19)16-15(13-7-5-4-6-8-13)11-14-10-9-12(2)18(14)16/h4-10H,3,11H2,1-2H3
InChIKeyUAPYARKCSJOZMM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.28
Rot. Bonds3

About ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate

ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate (PubChem CID 12969908) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate
PubChem CID12969908
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Cc2ccc(C)n21
InChIInChI=1S/C17H17NO2/c1-3-20-17(19)16-15(13-7-5-4-6-8-13)11-14-10-9-12(2)18(14)16/h4-10H,3,11H2,1-2H3
InChIKeyUAPYARKCSJOZMM-UHFFFAOYSA-N
XLogP3.28
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 5-phenyl-4H-pyrazole-3-carboxylate
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ethyl 4-phenylphthalazine-1-carboxylate
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ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
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CID 158970570
CID 158970570
ethyl 2-benzyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate (CID 12969908) is ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)Cc2ccc(C)n21.
What is the InChIKey of ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate?
The InChIKey is UAPYARKCSJOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-20-17(19)16-15(13-7-5-4-6-8-13)11-14-10-9-12(2)18(14)16/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate?
ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-phenyl-1H-pyrrolizine-3-carboxylate is sourced from PubChem (CID 12969908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).