2-[(1R)-1-ethoxyethyl]-1-methylpyrrole

C9H15NO — CID 86337483

IUPAC2-[(1R)-1-ethoxyethyl]-1-methylpyrrole
SMILESCCO[C@H](C)c1cccn1C
InChIInChI=1S/C9H15NO/c1-4-11-8(2)9-6-5-7-10(9)3/h5-8H,4H2,1-3H3/t8-/m1/s1
InChIKeyOEFIJLVMHWVWLR-MRVPVSSYSA-N
MW153.22 g/mol
LogP2.12
Rot. Bonds3

About 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole

2-[(1R)-1-ethoxyethyl]-1-methylpyrrole (PubChem CID 86337483) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[(1R)-1-ethoxyethyl]-1-methylpyrrole
PubChem CID86337483
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(1R)-1-ethoxyethyl]-1-methylpyrrole
SMILESCCO[C@H](C)c1cccn1C
InChIInChI=1S/C9H15NO/c1-4-11-8(2)9-6-5-7-10(9)3/h5-8H,4H2,1-3H3/t8-/m1/s1
InChIKeyOEFIJLVMHWVWLR-MRVPVSSYSA-N
XLogP2.12
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole?
The IUPAC name of 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole (CID 86337483) is 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole.
What is the SMILES notation for 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole?
The canonical SMILES for 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole is CCO[C@H](C)c1cccn1C.
What is the InChIKey of 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole?
The InChIKey is OEFIJLVMHWVWLR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-11-8(2)9-6-5-7-10(9)3/h5-8H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole?
2-[(1R)-1-ethoxyethyl]-1-methylpyrrole has a molecular weight of 153.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-ethoxyethyl]-1-methylpyrrole is sourced from PubChem (CID 86337483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).