4-propyl-2H-pyrrol-5-amine

C7H12N2 — CID 58077623

IUPAC4-propyl-2H-pyrrol-5-amine
SMILESCCCC1=CCN=C1N
InChIInChI=1S/C7H12N2/c1-2-3-6-4-5-9-7(6)8/h4H,2-3,5H2,1H3,(H2,8,9)
InChIKeyIXYXQYTZHMVKGB-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds2

About 4-propyl-2H-pyrrol-5-amine

4-propyl-2H-pyrrol-5-amine (PubChem CID 58077623) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-propyl-2H-pyrrol-5-amine.

Molecular Properties

Compound Name4-propyl-2H-pyrrol-5-amine
PubChem CID58077623
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-propyl-2H-pyrrol-5-amine
SMILESCCCC1=CCN=C1N
InChIInChI=1S/C7H12N2/c1-2-3-6-4-5-9-7(6)8/h4H,2-3,5H2,1H3,(H2,8,9)
InChIKeyIXYXQYTZHMVKGB-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2H-pyrrol-5-amine?
The IUPAC name of 4-propyl-2H-pyrrol-5-amine (CID 58077623) is 4-propyl-2H-pyrrol-5-amine.
What is the SMILES notation for 4-propyl-2H-pyrrol-5-amine?
The canonical SMILES for 4-propyl-2H-pyrrol-5-amine is CCCC1=CCN=C1N.
What is the InChIKey of 4-propyl-2H-pyrrol-5-amine?
The InChIKey is IXYXQYTZHMVKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-6-4-5-9-7(6)8/h4H,2-3,5H2,1H3,(H2,8,9).
What are the key properties of 4-propyl-2H-pyrrol-5-amine?
4-propyl-2H-pyrrol-5-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2H-pyrrol-5-amine is sourced from PubChem (CID 58077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).