2-ethyl-1-propylpyrrole;hydrofluoride

C9H16FN — CID 175874487

IUPAC2-ethyl-1-propylpyrrole;hydrofluoride
SMILESCCCn1cccc1CC.F
InChIInChI=1S/C9H15N.FH/c1-3-7-10-8-5-6-9(10)4-2;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyMEKACRLEYFMRKQ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.61
Rot. Bonds3

About 2-ethyl-1-propylpyrrole;hydrofluoride

2-ethyl-1-propylpyrrole;hydrofluoride (PubChem CID 175874487) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-ethyl-1-propylpyrrole;hydrofluoride.

Molecular Properties

Compound Name2-ethyl-1-propylpyrrole;hydrofluoride
PubChem CID175874487
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-ethyl-1-propylpyrrole;hydrofluoride
SMILESCCCn1cccc1CC.F
InChIInChI=1S/C9H15N.FH/c1-3-7-10-8-5-6-9(10)4-2;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyMEKACRLEYFMRKQ-UHFFFAOYSA-N
XLogP2.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propylpyrrole;hydrofluoride?
The IUPAC name of 2-ethyl-1-propylpyrrole;hydrofluoride (CID 175874487) is 2-ethyl-1-propylpyrrole;hydrofluoride.
What is the SMILES notation for 2-ethyl-1-propylpyrrole;hydrofluoride?
The canonical SMILES for 2-ethyl-1-propylpyrrole;hydrofluoride is CCCn1cccc1CC.F.
What is the InChIKey of 2-ethyl-1-propylpyrrole;hydrofluoride?
The InChIKey is MEKACRLEYFMRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.FH/c1-3-7-10-8-5-6-9(10)4-2;/h5-6,8H,3-4,7H2,1-2H3;1H.
What are the key properties of 2-ethyl-1-propylpyrrole;hydrofluoride?
2-ethyl-1-propylpyrrole;hydrofluoride has a molecular weight of 157.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propylpyrrole;hydrofluoride is sourced from PubChem (CID 175874487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).