1-Methyl-1H-pyrrole-2-selenol

C5H6NSe — CID 78061302

IUPAC—
SMILESCn1cccc1[Se]
InChIInChI=1S/C5H6NSe/c1-6-4-2-3-5(6)7/h2-4H,1H3
InChIKeyZYPJTDNZKAHFPX-UHFFFAOYSA-N
MW159.07 g/mol
LogP-0.18
Rot. Bonds

About 1-Methyl-1H-pyrrole-2-selenol

1-Methyl-1H-pyrrole-2-selenol (PubChem CID 78061302) has the molecular formula C5H6NSe and a molecular weight of 159.07 g/mol.

Molecular Properties

Compound Name1-Methyl-1H-pyrrole-2-selenol
PubChem CID78061302
Molecular FormulaC5H6NSe
Molecular Weight159.07 g/mol
Exact Mass159.97
IUPAC Name—
SMILESCn1cccc1[Se]
InChIInChI=1S/C5H6NSe/c1-6-4-2-3-5(6)7/h2-4H,1H3
InChIKeyZYPJTDNZKAHFPX-UHFFFAOYSA-N
XLogP-0.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.07
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-Methyl-1H-pyrrole-2-selenol?
The IUPAC name of 1-Methyl-1H-pyrrole-2-selenol (CID 78061302) is not available.
What is the SMILES notation for 1-Methyl-1H-pyrrole-2-selenol?
The canonical SMILES for 1-Methyl-1H-pyrrole-2-selenol is Cn1cccc1[Se].
What is the InChIKey of 1-Methyl-1H-pyrrole-2-selenol?
The InChIKey is ZYPJTDNZKAHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NSe/c1-6-4-2-3-5(6)7/h2-4H,1H3.
What are the key properties of 1-Methyl-1H-pyrrole-2-selenol?
1-Methyl-1H-pyrrole-2-selenol has a molecular weight of 159.07 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-1H-pyrrole-2-selenol is sourced from PubChem (CID 78061302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).