2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole

C13H17NO — CID 12764851

IUPAC2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole
SMILESCCOC1=NC(Cc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c1-2-15-13-9-8-12(14-13)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyWOXMKKYYJZIPKM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.83
Rot. Bonds3

About 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole

2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole (PubChem CID 12764851) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole
PubChem CID12764851
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole
SMILESCCOC1=NC(Cc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c1-2-15-13-9-8-12(14-13)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyWOXMKKYYJZIPKM-UHFFFAOYSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole (CID 12764851) is 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole is CCOC1=NC(Cc2ccccc2)CC1.
What is the InChIKey of 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole?
The InChIKey is WOXMKKYYJZIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-15-13-9-8-12(14-13)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole?
2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole has a molecular weight of 203.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethoxy-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12764851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).