4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine

C7H11N3 — CID 58310000

IUPAC4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine
SMILESNC/C=C/C1=CN=C(N)C1
InChIInChI=1S/C7H11N3/c8-3-1-2-6-4-7(9)10-5-6/h1-2,5H,3-4,8H2,(H2,9,10)/b2-1+
InChIKeyXRQBMGGRXUVAOU-OWOJBTEDSA-N
MW137.19 g/mol
LogP0.15
Rot. Bonds2

About 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine

4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine (PubChem CID 58310000) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine
PubChem CID58310000
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine
SMILESNC/C=C/C1=CN=C(N)C1
InChIInChI=1S/C7H11N3/c8-3-1-2-6-4-7(9)10-5-6/h1-2,5H,3-4,8H2,(H2,9,10)/b2-1+
InChIKeyXRQBMGGRXUVAOU-OWOJBTEDSA-N
XLogP0.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine (CID 58310000) is 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine is NC/C=C/C1=CN=C(N)C1.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine?
The InChIKey is XRQBMGGRXUVAOU-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H11N3/c8-3-1-2-6-4-7(9)10-5-6/h1-2,5H,3-4,8H2,(H2,9,10)/b2-1+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine?
4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]-3H-pyrrol-2-amine is sourced from PubChem (CID 58310000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).