2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole

C14H19NO — CID 10704000

IUPAC2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole
SMILESCOC1=NC(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C14H19NO/c1-14(2)10-13(16-3)15-12(14)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyNQPJSROCVLGSCL-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.07
Rot. Bonds2

About 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole

2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole (PubChem CID 10704000) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole.

Molecular Properties

Compound Name2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole
PubChem CID10704000
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole
SMILESCOC1=NC(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C14H19NO/c1-14(2)10-13(16-3)15-12(14)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyNQPJSROCVLGSCL-UHFFFAOYSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole?
The IUPAC name of 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole (CID 10704000) is 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole.
What is the SMILES notation for 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole?
The canonical SMILES for 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole is COC1=NC(Cc2ccccc2)C(C)(C)C1.
What is the InChIKey of 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole?
The InChIKey is NQPJSROCVLGSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)10-13(16-3)15-12(14)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole?
2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole has a molecular weight of 217.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methoxy-3,3-dimethyl-2,4-dihydropyrrole is sourced from PubChem (CID 10704000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).