1-methyl-2-pyrrol-1-ylpyrrole

C9H10N2 — CID 25158349

IUPAC1-methyl-2-pyrrol-1-ylpyrrole
SMILESCn1cccc1-n1cccc1
InChIInChI=1S/C9H10N2/c1-10-6-4-5-9(10)11-7-2-3-8-11/h2-8H,1H3
InChIKeyCEEDIQNNZOLAHF-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.82
Rot. Bonds1

About 1-methyl-2-pyrrol-1-ylpyrrole

1-methyl-2-pyrrol-1-ylpyrrole (PubChem CID 25158349) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methyl-2-pyrrol-1-ylpyrrole.

Molecular Properties

Compound Name1-methyl-2-pyrrol-1-ylpyrrole
PubChem CID25158349
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-methyl-2-pyrrol-1-ylpyrrole
SMILESCn1cccc1-n1cccc1
InChIInChI=1S/C9H10N2/c1-10-6-4-5-9(10)11-7-2-3-8-11/h2-8H,1H3
InChIKeyCEEDIQNNZOLAHF-UHFFFAOYSA-N
XLogP1.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrol-1-ylpyrrole?
The IUPAC name of 1-methyl-2-pyrrol-1-ylpyrrole (CID 25158349) is 1-methyl-2-pyrrol-1-ylpyrrole.
What is the SMILES notation for 1-methyl-2-pyrrol-1-ylpyrrole?
The canonical SMILES for 1-methyl-2-pyrrol-1-ylpyrrole is Cn1cccc1-n1cccc1.
What is the InChIKey of 1-methyl-2-pyrrol-1-ylpyrrole?
The InChIKey is CEEDIQNNZOLAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-10-6-4-5-9(10)11-7-2-3-8-11/h2-8H,1H3.
What are the key properties of 1-methyl-2-pyrrol-1-ylpyrrole?
1-methyl-2-pyrrol-1-ylpyrrole has a molecular weight of 146.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrol-1-ylpyrrole is sourced from PubChem (CID 25158349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).