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

C8H12N2 — CID 123331763

IUPAC6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCC1Cc2nccn2C1
InChIInChI=1S/C8H12N2/c1-2-7-5-8-9-3-4-10(8)6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyJITIEISBMGTPDK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds1

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

6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 123331763) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID123331763
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCC1Cc2nccn2C1
InChIInChI=1S/C8H12N2/c1-2-7-5-8-9-3-4-10(8)6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyJITIEISBMGTPDK-UHFFFAOYSA-N
XLogP1.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 177227339
(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
CID 10855545
ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 153334198
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
(6R)-6-[(2-methylpropan-2-yl)oxy]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 139402727
(6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 96635834
N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine
CID 163799948
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)propan-2-amine
CID 131134209
7-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390526
N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine
CID 134069048
6-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 25209511
(6S)-6-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CID 97389285

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 123331763) is 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CCC1Cc2nccn2C1.
What is the InChIKey of 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is JITIEISBMGTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-5-8-9-3-4-10(8)6-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 123331763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).