3-N-prop-2-enylpyridine-2,3-diamine

C8H11N3 — CID 104540292

IUPAC3-N-prop-2-enylpyridine-2,3-diamine
SMILESC=CCNc1cccnc1N
InChIInChI=1S/C8H11N3/c1-2-5-10-7-4-3-6-11-8(7)9/h2-4,6,10H,1,5H2,(H2,9,11)
InChIKeyGYZSQBUSCBKCLY-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.26
Rot. Bonds3

About 3-N-prop-2-enylpyridine-2,3-diamine

3-N-prop-2-enylpyridine-2,3-diamine (PubChem CID 104540292) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-N-prop-2-enylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-prop-2-enylpyridine-2,3-diamine
PubChem CID104540292
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-N-prop-2-enylpyridine-2,3-diamine
SMILESC=CCNc1cccnc1N
InChIInChI=1S/C8H11N3/c1-2-5-10-7-4-3-6-11-8(7)9/h2-4,6,10H,1,5H2,(H2,9,11)
InChIKeyGYZSQBUSCBKCLY-UHFFFAOYSA-N
XLogP1.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-prop-2-enylpyridine-2,3-diamine?
The IUPAC name of 3-N-prop-2-enylpyridine-2,3-diamine (CID 104540292) is 3-N-prop-2-enylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-prop-2-enylpyridine-2,3-diamine?
The canonical SMILES for 3-N-prop-2-enylpyridine-2,3-diamine is C=CCNc1cccnc1N.
What is the InChIKey of 3-N-prop-2-enylpyridine-2,3-diamine?
The InChIKey is GYZSQBUSCBKCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-5-10-7-4-3-6-11-8(7)9/h2-4,6,10H,1,5H2,(H2,9,11).
What are the key properties of 3-N-prop-2-enylpyridine-2,3-diamine?
3-N-prop-2-enylpyridine-2,3-diamine has a molecular weight of 149.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-prop-2-enylpyridine-2,3-diamine is sourced from PubChem (CID 104540292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).