2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole

C9H15N3O — CID 131042977

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole
SMILESCOCC1CCN(c2ncc[nH]2)C1
InChIInChI=1S/C9H15N3O/c1-13-7-8-2-5-12(6-8)9-10-3-4-11-9/h3-4,8H,2,5-7H2,1H3,(H,10,11)
InChIKeyHERIWHIADPOFNZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.88
Rot. Bonds3

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole

2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole (PubChem CID 131042977) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole
PubChem CID131042977
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole
SMILESCOCC1CCN(c2ncc[nH]2)C1
InChIInChI=1S/C9H15N3O/c1-13-7-8-2-5-12(6-8)9-10-3-4-11-9/h3-4,8H,2,5-7H2,1H3,(H,10,11)
InChIKeyHERIWHIADPOFNZ-UHFFFAOYSA-N
XLogP0.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole (CID 131042977) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole is COCC1CCN(c2ncc[nH]2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole?
The InChIKey is HERIWHIADPOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-7-8-2-5-12(6-8)9-10-3-4-11-9/h3-4,8H,2,5-7H2,1H3,(H,10,11).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole has a molecular weight of 181.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole is sourced from PubChem (CID 131042977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).