ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole

C11H21N3O — CID 178114894

IUPACethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole
SMILESCC.COC1(c2nccn2C)CCNC1
InChIInChI=1S/C9H15N3O.C2H6/c1-12-6-5-11-8(12)9(13-2)3-4-10-7-9;1-2/h5-6,10H,3-4,7H2,1-2H3;1-2H3
InChIKeyHZDDFSHIFPTLPD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.28
Rot. Bonds2

About ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole

ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole (PubChem CID 178114894) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole.

Molecular Properties

Compound Nameethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole
PubChem CID178114894
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole
SMILESCC.COC1(c2nccn2C)CCNC1
InChIInChI=1S/C9H15N3O.C2H6/c1-12-6-5-11-8(12)9(13-2)3-4-10-7-9;1-2/h5-6,10H,3-4,7H2,1-2H3;1-2H3
InChIKeyHZDDFSHIFPTLPD-UHFFFAOYSA-N
XLogP1.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole?
The IUPAC name of ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole (CID 178114894) is ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole.
What is the SMILES notation for ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole?
The canonical SMILES for ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole is CC.COC1(c2nccn2C)CCNC1.
What is the InChIKey of ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole?
The InChIKey is HZDDFSHIFPTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2H6/c1-12-6-5-11-8(12)9(13-2)3-4-10-7-9;1-2/h5-6,10H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole?
ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole has a molecular weight of 211.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole is sourced from PubChem (CID 178114894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).