3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole

C9H10N2 — CID 55286281

IUPAC3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole
SMILESc1cc(Cc2cc[nH]c2)c[nH]1
InChIInChI=1S/C9H10N2/c1-3-10-6-8(1)5-9-2-4-11-7-9/h1-4,6-7,10-11H,5H2
InChIKeyKHRVRGNGMCSQOM-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.93
Rot. Bonds2

About 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole

3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole (PubChem CID 55286281) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole
PubChem CID55286281
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole
SMILESc1cc(Cc2cc[nH]c2)c[nH]1
InChIInChI=1S/C9H10N2/c1-3-10-6-8(1)5-9-2-4-11-7-9/h1-4,6-7,10-11H,5H2
InChIKeyKHRVRGNGMCSQOM-UHFFFAOYSA-N
XLogP1.93
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole?
The IUPAC name of 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole (CID 55286281) is 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole?
The canonical SMILES for 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole is c1cc(Cc2cc[nH]c2)c[nH]1.
What is the InChIKey of 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole?
The InChIKey is KHRVRGNGMCSQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-10-6-8(1)5-9-2-4-11-7-9/h1-4,6-7,10-11H,5H2.
What are the key properties of 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole?
3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole has a molecular weight of 146.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 55286281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).