4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole

C11H14N2 — CID 67768010

IUPAC4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole
SMILESCCCc1c[nH]c(-c2ccc[nH]2)c1
InChIInChI=1S/C11H14N2/c1-2-4-9-7-11(13-8-9)10-5-3-6-12-10/h3,5-8,12-13H,2,4H2,1H3
InChIKeyYVMUWUKKEMWQQC-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.96
Rot. Bonds3

About 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole

4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole (PubChem CID 67768010) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole
PubChem CID67768010
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole
SMILESCCCc1c[nH]c(-c2ccc[nH]2)c1
InChIInChI=1S/C11H14N2/c1-2-4-9-7-11(13-8-9)10-5-3-6-12-10/h3,5-8,12-13H,2,4H2,1H3
InChIKeyYVMUWUKKEMWQQC-UHFFFAOYSA-N
XLogP2.96
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole?
The IUPAC name of 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole (CID 67768010) is 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole.
What is the SMILES notation for 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole?
The canonical SMILES for 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole is CCCc1c[nH]c(-c2ccc[nH]2)c1.
What is the InChIKey of 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole?
The InChIKey is YVMUWUKKEMWQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-9-7-11(13-8-9)10-5-3-6-12-10/h3,5-8,12-13H,2,4H2,1H3.
What are the key properties of 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole?
4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole has a molecular weight of 174.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole is sourced from PubChem (CID 67768010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).