ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C11H22N2O — CID 153334198

IUPACethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCC.CC.CO[C@@H]1Cc2nccn2C1
InChIInChI=1S/C7H10N2O.2C2H6/c1-10-6-4-7-8-2-3-9(7)5-6;2*1-2/h2-3,6H,4-5H2,1H3;2*1-2H3/t6-;;/m1../s1
InChIKeyOGQZVQKCTQLQLX-QYCVXMPOSA-N
MW198.31 g/mol
LogP2.51
Rot. Bonds1

About ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 153334198) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Nameethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID153334198
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCC.CC.CO[C@@H]1Cc2nccn2C1
InChIInChI=1S/C7H10N2O.2C2H6/c1-10-6-4-7-8-2-3-9(7)5-6;2*1-2/h2-3,6H,4-5H2,1H3;2*1-2H3/t6-;;/m1../s1
InChIKeyOGQZVQKCTQLQLX-QYCVXMPOSA-N
XLogP2.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 25209511
(6R)-6-[(2-methylpropan-2-yl)oxy]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 139402727
(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
CID 10855545
6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 123331763
6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574985
(6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 96635834
tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate
CID 129410152
N-[(E)-but-2-enyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-amine
CID 163799948
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 162341876
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-thiol
CID 10261296

Frequently Asked Questions

What is the IUPAC name of ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 153334198) is ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CC.CC.CO[C@@H]1Cc2nccn2C1.
What is the InChIKey of ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is OGQZVQKCTQLQLX-QYCVXMPOSA-N. The full InChI is InChI=1S/C7H10N2O.2C2H6/c1-10-6-4-7-8-2-3-9(7)5-6;2*1-2/h2-3,6H,4-5H2,1H3;2*1-2H3/t6-;;/m1../s1.
What are the key properties of ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 198.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6R)-6-methoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 153334198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).