ethyl 2-benzylpyrazolidine-1-carboxylate

C13H18N2O2 — CID 134985746

IUPACethyl 2-benzylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CCCN1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15-10-6-9-14(15)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyUMCSXZPOLZCHSQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.27
Rot. Bonds3

About ethyl 2-benzylpyrazolidine-1-carboxylate

ethyl 2-benzylpyrazolidine-1-carboxylate (PubChem CID 134985746) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-benzylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzylpyrazolidine-1-carboxylate
PubChem CID134985746
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-benzylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CCCN1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15-10-6-9-14(15)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyUMCSXZPOLZCHSQ-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
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(R)-N-Boc-2-phenylpyrrolidine
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3-Benzyl-5-methoxy-1,3,4-oxadiazol-2-one
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(1-benzylpiperidin-4-yl) N-ethyl-N-methylcarbamate
CID 162675897
(1-benzylpiperidin-4-yl)methyl N-ethyl-N-methylcarbamate
CID 162677004
Ethyl dibenzylcarbamate
CID 234958
3-(1-Benzyl-piperidin-4-yl)-oxazolidin-2-one
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Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzylpyrazolidine-1-carboxylate?
The IUPAC name of ethyl 2-benzylpyrazolidine-1-carboxylate (CID 134985746) is ethyl 2-benzylpyrazolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-benzylpyrazolidine-1-carboxylate?
The canonical SMILES for ethyl 2-benzylpyrazolidine-1-carboxylate is CCOC(=O)N1CCCN1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzylpyrazolidine-1-carboxylate?
The InChIKey is UMCSXZPOLZCHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)15-10-6-9-14(15)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3.
What are the key properties of ethyl 2-benzylpyrazolidine-1-carboxylate?
ethyl 2-benzylpyrazolidine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzylpyrazolidine-1-carboxylate is sourced from PubChem (CID 134985746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).