2-methyl-1H-pyrrol-3-olate

C5H6NO- — CID 152759460

IUPAC2-methyl-1H-pyrrol-3-olate
SMILESCc1[nH]ccc1[O-]
InChIInChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-3,6-7H,1H3/p-1
InChIKeyPVCYHRGPWALJNC-UHFFFAOYSA-M
MW96.11 g/mol
LogP0.40
Rot. Bonds

About 2-methyl-1H-pyrrol-3-olate

2-methyl-1H-pyrrol-3-olate (PubChem CID 152759460) has the molecular formula C5H6NO- and a molecular weight of 96.11 g/mol. Its IUPAC name is 2-methyl-1H-pyrrol-3-olate.

Molecular Properties

Compound Name2-methyl-1H-pyrrol-3-olate
PubChem CID152759460
Molecular FormulaC5H6NO-
Molecular Weight96.11 g/mol
Exact Mass96.05
IUPAC Name2-methyl-1H-pyrrol-3-olate
SMILESCc1[nH]ccc1[O-]
InChIInChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-3,6-7H,1H3/p-1
InChIKeyPVCYHRGPWALJNC-UHFFFAOYSA-M
XLogP0.40
TPSA38.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1H-pyrrole;ethane
CID 91612743
CID 175518962
CID 175518962
2,3-dimethyl-1H-pyrrole;pyridine
CID 174958879
2-nitroso-1H-pyrrol-3-olate
CID 154242802
2-methyl-3-phenyl-1H-pyrrole
CID 10419429
3-buta-1,3-dienyl-2-methyl-1H-pyrrole
CID 91256027
2-methyl-3-(trifluoromethyl)-1H-pyridine-4-thione
CID 135194138
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
3-(3-chlorocyclohexyl)-2-methyl-1H-pyrrole
CID 70287090
2-methyl-1,4-dihydropyrrolo[2,3-d]imidazole
CID 69288445
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrrol-3-olate?
The IUPAC name of 2-methyl-1H-pyrrol-3-olate (CID 152759460) is 2-methyl-1H-pyrrol-3-olate.
What is the SMILES notation for 2-methyl-1H-pyrrol-3-olate?
The canonical SMILES for 2-methyl-1H-pyrrol-3-olate is Cc1[nH]ccc1[O-].
What is the InChIKey of 2-methyl-1H-pyrrol-3-olate?
The InChIKey is PVCYHRGPWALJNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-3,6-7H,1H3/p-1.
What are the key properties of 2-methyl-1H-pyrrol-3-olate?
2-methyl-1H-pyrrol-3-olate has a molecular weight of 96.11 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrrol-3-olate is sourced from PubChem (CID 152759460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).