1-(pyrrol-1-ylmethyl)pyrrole

C9H10N2 — CID 556811

IUPAC1-(pyrrol-1-ylmethyl)pyrrole
SMILESc1ccn(Cn2cccc2)c1
InChIInChI=1S/C9H10N2/c1-2-6-10(5-1)9-11-7-3-4-8-11/h1-8H,9H2
InChIKeyJXEPVIHYPKEDMA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.80
Rot. Bonds2

About 1-(pyrrol-1-ylmethyl)pyrrole

1-(pyrrol-1-ylmethyl)pyrrole (PubChem CID 556811) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(pyrrol-1-ylmethyl)pyrrole.

Molecular Properties

Compound Name1-(pyrrol-1-ylmethyl)pyrrole
PubChem CID556811
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-(pyrrol-1-ylmethyl)pyrrole
SMILESc1ccn(Cn2cccc2)c1
InChIInChI=1S/C9H10N2/c1-2-6-10(5-1)9-11-7-3-4-8-11/h1-8H,9H2
InChIKeyJXEPVIHYPKEDMA-UHFFFAOYSA-N
XLogP1.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrol-1-ylmethyl)pyrrole?
The IUPAC name of 1-(pyrrol-1-ylmethyl)pyrrole (CID 556811) is 1-(pyrrol-1-ylmethyl)pyrrole.
What is the SMILES notation for 1-(pyrrol-1-ylmethyl)pyrrole?
The canonical SMILES for 1-(pyrrol-1-ylmethyl)pyrrole is c1ccn(Cn2cccc2)c1.
What is the InChIKey of 1-(pyrrol-1-ylmethyl)pyrrole?
The InChIKey is JXEPVIHYPKEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-6-10(5-1)9-11-7-3-4-8-11/h1-8H,9H2.
What are the key properties of 1-(pyrrol-1-ylmethyl)pyrrole?
1-(pyrrol-1-ylmethyl)pyrrole has a molecular weight of 146.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrol-1-ylmethyl)pyrrole is sourced from PubChem (CID 556811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).