5-ethyl-3H-pyrrol-4-amine

C6H10N2 — CID 18544292

IUPAC5-ethyl-3H-pyrrol-4-amine
SMILESCCC1=C(N)CC=N1
InChIInChI=1S/C6H10N2/c1-2-6-5(7)3-4-8-6/h4H,2-3,7H2,1H3
InChIKeyXSHPSQCXYNCMSA-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.04
Rot. Bonds1

About 5-ethyl-3H-pyrrol-4-amine

5-ethyl-3H-pyrrol-4-amine (PubChem CID 18544292) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-ethyl-3H-pyrrol-4-amine.

Molecular Properties

Compound Name5-ethyl-3H-pyrrol-4-amine
PubChem CID18544292
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name5-ethyl-3H-pyrrol-4-amine
SMILESCCC1=C(N)CC=N1
InChIInChI=1S/C6H10N2/c1-2-6-5(7)3-4-8-6/h4H,2-3,7H2,1H3
InChIKeyXSHPSQCXYNCMSA-UHFFFAOYSA-N
XLogP1.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3H-pyrrol-4-amine?
The IUPAC name of 5-ethyl-3H-pyrrol-4-amine (CID 18544292) is 5-ethyl-3H-pyrrol-4-amine.
What is the SMILES notation for 5-ethyl-3H-pyrrol-4-amine?
The canonical SMILES for 5-ethyl-3H-pyrrol-4-amine is CCC1=C(N)CC=N1.
What is the InChIKey of 5-ethyl-3H-pyrrol-4-amine?
The InChIKey is XSHPSQCXYNCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-6-5(7)3-4-8-6/h4H,2-3,7H2,1H3.
What are the key properties of 5-ethyl-3H-pyrrol-4-amine?
5-ethyl-3H-pyrrol-4-amine has a molecular weight of 110.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-pyrrol-4-amine is sourced from PubChem (CID 18544292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).