1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole

C11H14N2 — CID 146567815

IUPAC1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole
SMILESCCn1cccc1Cn1cccc1
InChIInChI=1S/C11H14N2/c1-2-13-9-5-6-11(13)10-12-7-3-4-8-12/h3-9H,2,10H2,1H3
InChIKeyAIBPTJYWKFTABH-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.36
Rot. Bonds3

About 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole

1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole (PubChem CID 146567815) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole.

Molecular Properties

Compound Name1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole
PubChem CID146567815
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole
SMILESCCn1cccc1Cn1cccc1
InChIInChI=1S/C11H14N2/c1-2-13-9-5-6-11(13)10-12-7-3-4-8-12/h3-9H,2,10H2,1H3
InChIKeyAIBPTJYWKFTABH-UHFFFAOYSA-N
XLogP2.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole?
The IUPAC name of 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole (CID 146567815) is 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole.
What is the SMILES notation for 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole?
The canonical SMILES for 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole is CCn1cccc1Cn1cccc1.
What is the InChIKey of 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole?
The InChIKey is AIBPTJYWKFTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-13-9-5-6-11(13)10-12-7-3-4-8-12/h3-9H,2,10H2,1H3.
What are the key properties of 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole?
1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole has a molecular weight of 174.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(pyrrol-1-ylmethyl)pyrrole is sourced from PubChem (CID 146567815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).