3-methyl-3H-pyrrol-2-olate

C5H6NO- — CID 19784170

IUPAC3-methyl-3H-pyrrol-2-olate
SMILESCC1C=CN=C1[O-]
InChIInChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/p-1
InChIKeyMMZWKJMHFBDLLF-UHFFFAOYSA-M
MW96.11 g/mol
LogP-0.09
Rot. Bonds

About 3-methyl-3H-pyrrol-2-olate

3-methyl-3H-pyrrol-2-olate (PubChem CID 19784170) has the molecular formula C5H6NO- and a molecular weight of 96.11 g/mol. Its IUPAC name is 3-methyl-3H-pyrrol-2-olate.

Molecular Properties

Compound Name3-methyl-3H-pyrrol-2-olate
PubChem CID19784170
Molecular FormulaC5H6NO-
Molecular Weight96.11 g/mol
Exact Mass96.05
IUPAC Name3-methyl-3H-pyrrol-2-olate
SMILESCC1C=CN=C1[O-]
InChIInChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/p-1
InChIKeyMMZWKJMHFBDLLF-UHFFFAOYSA-M
XLogP-0.09
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-pyrrol-2-olate?
The IUPAC name of 3-methyl-3H-pyrrol-2-olate (CID 19784170) is 3-methyl-3H-pyrrol-2-olate.
What is the SMILES notation for 3-methyl-3H-pyrrol-2-olate?
The canonical SMILES for 3-methyl-3H-pyrrol-2-olate is CC1C=CN=C1[O-].
What is the InChIKey of 3-methyl-3H-pyrrol-2-olate?
The InChIKey is MMZWKJMHFBDLLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/p-1.
What are the key properties of 3-methyl-3H-pyrrol-2-olate?
3-methyl-3H-pyrrol-2-olate has a molecular weight of 96.11 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyrrol-2-olate is sourced from PubChem (CID 19784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).