2-ethenylpyrrol-1-amine

C6H8N2 — CID 123344107

IUPAC2-ethenylpyrrol-1-amine
SMILESC=Cc1cccn1N
InChIInChI=1S/C6H8N2/c1-2-6-4-3-5-8(6)7/h2-5H,1,7H2
InChIKeyMHWVCWAUJBYBAJ-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.84
Rot. Bonds1

About 2-ethenylpyrrol-1-amine

2-ethenylpyrrol-1-amine (PubChem CID 123344107) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-ethenylpyrrol-1-amine.

Molecular Properties

Compound Name2-ethenylpyrrol-1-amine
PubChem CID123344107
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-ethenylpyrrol-1-amine
SMILESC=Cc1cccn1N
InChIInChI=1S/C6H8N2/c1-2-6-4-3-5-8(6)7/h2-5H,1,7H2
InChIKeyMHWVCWAUJBYBAJ-UHFFFAOYSA-N
XLogP0.84
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyrrol-1-amine?
The IUPAC name of 2-ethenylpyrrol-1-amine (CID 123344107) is 2-ethenylpyrrol-1-amine.
What is the SMILES notation for 2-ethenylpyrrol-1-amine?
The canonical SMILES for 2-ethenylpyrrol-1-amine is C=Cc1cccn1N.
What is the InChIKey of 2-ethenylpyrrol-1-amine?
The InChIKey is MHWVCWAUJBYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-4-3-5-8(6)7/h2-5H,1,7H2.
What are the key properties of 2-ethenylpyrrol-1-amine?
2-ethenylpyrrol-1-amine has a molecular weight of 108.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyrrol-1-amine is sourced from PubChem (CID 123344107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).