1-methyl-3-(1H-pyrrol-2-yl)pyrrole

C9H10N2 — CID 167296884

IUPAC1-methyl-3-(1H-pyrrol-2-yl)pyrrole
SMILESCn1ccc(-c2ccc[nH]2)c1
InChIInChI=1S/C9H10N2/c1-11-6-4-8(7-11)9-3-2-5-10-9/h2-7,10H,1H3
InChIKeyLTUCZFOGKMIECS-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.02
Rot. Bonds1

About 1-methyl-3-(1H-pyrrol-2-yl)pyrrole

1-methyl-3-(1H-pyrrol-2-yl)pyrrole (PubChem CID 167296884) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrrol-2-yl)pyrrole
PubChem CID167296884
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-methyl-3-(1H-pyrrol-2-yl)pyrrole
SMILESCn1ccc(-c2ccc[nH]2)c1
InChIInChI=1S/C9H10N2/c1-11-6-4-8(7-11)9-3-2-5-10-9/h2-7,10H,1H3
InChIKeyLTUCZFOGKMIECS-UHFFFAOYSA-N
XLogP2.02
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of 1-methyl-3-(1H-pyrrol-2-yl)pyrrole (CID 167296884) is 1-methyl-3-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for 1-methyl-3-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for 1-methyl-3-(1H-pyrrol-2-yl)pyrrole is Cn1ccc(-c2ccc[nH]2)c1.
What is the InChIKey of 1-methyl-3-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is LTUCZFOGKMIECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-6-4-8(7-11)9-3-2-5-10-9/h2-7,10H,1H3.
What are the key properties of 1-methyl-3-(1H-pyrrol-2-yl)pyrrole?
1-methyl-3-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 146.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 167296884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).