2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole

C19H25N3 — CID 170115317

IUPAC2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole
SMILESCCC(c1ccc[nH]1)c1ccc(C(C)(CC)c2ccc[nH]2)[nH]1
InChIInChI=1S/C19H25N3/c1-4-14(15-8-6-12-20-15)16-10-11-18(22-16)19(3,5-2)17-9-7-13-21-17/h6-14,20-22H,4-5H2,1-3H3
InChIKeyUYQATOULQGPDEL-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.93
Rot. Bonds6

About 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole

2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole (PubChem CID 170115317) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole
PubChem CID170115317
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole
SMILESCCC(c1ccc[nH]1)c1ccc(C(C)(CC)c2ccc[nH]2)[nH]1
InChIInChI=1S/C19H25N3/c1-4-14(15-8-6-12-20-15)16-10-11-18(22-16)19(3,5-2)17-9-7-13-21-17/h6-14,20-22H,4-5H2,1-3H3
InChIKeyUYQATOULQGPDEL-UHFFFAOYSA-N
XLogP4.93
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole?
The IUPAC name of 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole (CID 170115317) is 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole?
The canonical SMILES for 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole is CCC(c1ccc[nH]1)c1ccc(C(C)(CC)c2ccc[nH]2)[nH]1.
What is the InChIKey of 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole?
The InChIKey is UYQATOULQGPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-4-14(15-8-6-12-20-15)16-10-11-18(22-16)19(3,5-2)17-9-7-13-21-17/h6-14,20-22H,4-5H2,1-3H3.
What are the key properties of 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole?
2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole has a molecular weight of 295.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole is sourced from PubChem (CID 170115317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).