2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium

C14H22N2Ru — CID 174567277

IUPAC2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
SMILESCCCc1cc[nH]c1CCC.[Ru].c1cc[nH]c1
InChIInChI=1S/C10H17N.C4H5N.Ru/c1-3-5-9-7-8-11-10(9)6-4-2;1-2-4-5-3-1;/h7-8,11H,3-6H2,1-2H3;1-5H;
InChIKeyUZMAMYNKBJHSEW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.93
Rot. Bonds4

About 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium

2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium (PubChem CID 174567277) has the molecular formula C14H22N2Ru and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium.

Molecular Properties

Compound Name2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
PubChem CID174567277
Molecular FormulaC14H22N2Ru
Molecular Weight319.41 g/mol
Exact Mass320.08
IUPAC Name2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
SMILESCCCc1cc[nH]c1CCC.[Ru].c1cc[nH]c1
InChIInChI=1S/C10H17N.C4H5N.Ru/c1-3-5-9-7-8-11-10(9)6-4-2;1-2-4-5-3-1;/h7-8,11H,3-6H2,1-2H3;1-5H;
InChIKeyUZMAMYNKBJHSEW-UHFFFAOYSA-N
XLogP3.93
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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(2-pentyl-1H-pyrrol-3-yl)methanol
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CID 91394935
3-nitro-2-propyl-1H-pyrrole
CID 100914810
3-propyl-2-thiophen-2-yl-1H-pyrrole
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3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
(2-ethyl-1H-pyrrol-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium?
The IUPAC name of 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium (CID 174567277) is 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium.
What is the SMILES notation for 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium?
The canonical SMILES for 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium is CCCc1cc[nH]c1CCC.[Ru].c1cc[nH]c1.
What is the InChIKey of 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium?
The InChIKey is UZMAMYNKBJHSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C4H5N.Ru/c1-3-5-9-7-8-11-10(9)6-4-2;1-2-4-5-3-1;/h7-8,11H,3-6H2,1-2H3;1-5H;.
What are the key properties of 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium?
2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium has a molecular weight of 319.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium is sourced from PubChem (CID 174567277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).