ethane;2-ethyl-3H-pyrrole;propane

C11H23N — CID 171562713

IUPACethane;2-ethyl-3H-pyrrole;propane
SMILESCC.CCC.CCC1=NC=CC1
InChIInChI=1S/C6H9N.C3H8.C2H6/c1-2-6-4-3-5-7-6;1-3-2;1-2/h3,5H,2,4H2,1H3;3H2,1-2H3;1-2H3
InChIKeyHQWIIFFXORTGDN-UHFFFAOYSA-N
MW169.31 g/mol
LogP4.20
Rot. Bonds1

About ethane;2-ethyl-3H-pyrrole;propane

ethane;2-ethyl-3H-pyrrole;propane (PubChem CID 171562713) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;2-ethyl-3H-pyrrole;propane.

Molecular Properties

Compound Nameethane;2-ethyl-3H-pyrrole;propane
PubChem CID171562713
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;2-ethyl-3H-pyrrole;propane
SMILESCC.CCC.CCC1=NC=CC1
InChIInChI=1S/C6H9N.C3H8.C2H6/c1-2-6-4-3-5-7-6;1-3-2;1-2/h3,5H,2,4H2,1H3;3H2,1-2H3;1-2H3
InChIKeyHQWIIFFXORTGDN-UHFFFAOYSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3H-pyrrole;propane?
The IUPAC name of ethane;2-ethyl-3H-pyrrole;propane (CID 171562713) is ethane;2-ethyl-3H-pyrrole;propane.
What is the SMILES notation for ethane;2-ethyl-3H-pyrrole;propane?
The canonical SMILES for ethane;2-ethyl-3H-pyrrole;propane is CC.CCC.CCC1=NC=CC1.
What is the InChIKey of ethane;2-ethyl-3H-pyrrole;propane?
The InChIKey is HQWIIFFXORTGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C3H8.C2H6/c1-2-6-4-3-5-7-6;1-3-2;1-2/h3,5H,2,4H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-3H-pyrrole;propane?
ethane;2-ethyl-3H-pyrrole;propane has a molecular weight of 169.31 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3H-pyrrole;propane is sourced from PubChem (CID 171562713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).