7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C8H12N2O — CID 76527840

IUPAC7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCOC1CCn2ccnc21
InChIInChI=1S/C8H12N2O/c1-2-11-7-3-5-10-6-4-9-8(7)10/h4,6-7H,2-3,5H2,1H3
InChIKeyJQWPXXDXBYRHIY-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.36
Rot. Bonds2

About 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 76527840) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID76527840
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCOC1CCn2ccnc21
InChIInChI=1S/C8H12N2O/c1-2-11-7-3-5-10-6-4-9-8(7)10/h4,6-7H,2-3,5H2,1H3
InChIKeyJQWPXXDXBYRHIY-UHFFFAOYSA-N
XLogP1.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-7-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 166913087
(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
CID 92977143
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate
CID 130310451
N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-1-ethoxycyclopentane-1-carboxamide
CID 164631751
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate
CID 130313063
[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate
CID 167428317
(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
CID 164634930
7-methyl-6,6a,8,9,10,10a-hexahydro-5H-imidazo[2,1-f][1,6]naphthyridine
CID 129262022
(6R,7S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
CID 170903146
7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136839931
7-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 167071762
2-cyclohexyloxy-N-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]acetamide
CID 129333684

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 76527840) is 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CCOC1CCn2ccnc21.
What is the InChIKey of 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is JQWPXXDXBYRHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-11-7-3-5-10-6-4-9-8(7)10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 76527840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).