2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole

C14H15N3 — CID 10889583

IUPAC2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole
SMILESc1c[nH]c(Cc2ccc(Cc3ccc[nH]3)[nH]2)c1
InChIInChI=1S/C14H15N3/c1-3-11(15-7-1)9-13-5-6-14(17-13)10-12-4-2-8-16-12/h1-8,15-17H,9-10H2
InChIKeyGGSGPPFRVNQBCV-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.85
Rot. Bonds4

About 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole

2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole (PubChem CID 10889583) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole
PubChem CID10889583
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole
SMILESc1c[nH]c(Cc2ccc(Cc3ccc[nH]3)[nH]2)c1
InChIInChI=1S/C14H15N3/c1-3-11(15-7-1)9-13-5-6-14(17-13)10-12-4-2-8-16-12/h1-8,15-17H,9-10H2
InChIKeyGGSGPPFRVNQBCV-UHFFFAOYSA-N
XLogP2.85
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The IUPAC name of 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole (CID 10889583) is 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The canonical SMILES for 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole is c1c[nH]c(Cc2ccc(Cc3ccc[nH]3)[nH]2)c1.
What is the InChIKey of 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The InChIKey is GGSGPPFRVNQBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-11(15-7-1)9-13-5-6-14(17-13)10-12-4-2-8-16-12/h1-8,15-17H,9-10H2.
What are the key properties of 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole has a molecular weight of 225.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1H-pyrrol-2-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 10889583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).