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

C9H15NO — CID 40547759

IUPAC1-[(1S)-1-ethoxyethyl]-2-methylpyrrole
SMILESCCO[C@@H](C)n1cccc1C
InChIInChI=1S/C9H15NO/c1-4-11-9(3)10-7-5-6-8(10)2/h5-7,9H,4H2,1-3H3/t9-/m0/s1
InChIKeyHPLJZWLGKRQAGF-VIFPVBQESA-N
MW153.22 g/mol
LogP2.35
Rot. Bonds3

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

1-[(1S)-1-ethoxyethyl]-2-methylpyrrole (PubChem CID 40547759) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole.

Molecular Properties

Compound Name1-[(1S)-1-ethoxyethyl]-2-methylpyrrole
PubChem CID40547759
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(1S)-1-ethoxyethyl]-2-methylpyrrole
SMILESCCO[C@@H](C)n1cccc1C
InChIInChI=1S/C9H15NO/c1-4-11-9(3)10-7-5-6-8(10)2/h5-7,9H,4H2,1-3H3/t9-/m0/s1
InChIKeyHPLJZWLGKRQAGF-VIFPVBQESA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole?
The IUPAC name of 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole (CID 40547759) is 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole.
What is the SMILES notation for 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole?
The canonical SMILES for 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole is CCO[C@@H](C)n1cccc1C.
What is the InChIKey of 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole?
The InChIKey is HPLJZWLGKRQAGF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-4-11-9(3)10-7-5-6-8(10)2/h5-7,9H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole?
1-[(1S)-1-ethoxyethyl]-2-methylpyrrole has a molecular weight of 153.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-ethoxyethyl]-2-methylpyrrole is sourced from PubChem (CID 40547759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).