1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole

C17H24N2 — CID 162060855

IUPAC1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
SMILESC1=CN(Cc2ccccc2)CC1.CCN1C=CCC1
InChIInChI=1S/C11H13N.C6H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-7-5-3-4-6-7/h1-4,6-8H,5,9-10H2;3,5H,2,4,6H2,1H3
InChIKeyYZUYZLADJSFGJR-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.63
Rot. Bonds3

About 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole

1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole (PubChem CID 162060855) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
PubChem CID162060855
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
SMILESC1=CN(Cc2ccccc2)CC1.CCN1C=CCC1
InChIInChI=1S/C11H13N.C6H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-7-5-3-4-6-7/h1-4,6-8H,5,9-10H2;3,5H,2,4,6H2,1H3
InChIKeyYZUYZLADJSFGJR-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methyl-2H-imidazole
CID 18674614
1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
1-benzyl-3-decyl-2H-imidazole
CID 69393600
1-benzyl-2,4-dihydropyridin-3-one
CID 19761155
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 22044317
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707
3-tert-butyl-5-(2,3-dihydropyrrol-1-ylmethyl)aniline
CID 142695808
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
CID 175897383

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole?
The IUPAC name of 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole (CID 162060855) is 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole?
The canonical SMILES for 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole is C1=CN(Cc2ccccc2)CC1.CCN1C=CCC1.
What is the InChIKey of 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole?
The InChIKey is YZUYZLADJSFGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C6H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-2-7-5-3-4-6-7/h1-4,6-8H,5,9-10H2;3,5H,2,4,6H2,1H3.
What are the key properties of 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole?
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole has a molecular weight of 256.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole is sourced from PubChem (CID 162060855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).