1-prop-2-enylideneguanidine

C4H7N3 — CID 173495659

IUPAC1-prop-2-enylideneguanidine
SMILES[H]/N=C(\N)N=CC=C
InChIInChI=1S/C4H7N3/c1-2-3-7-4(5)6/h2-3H,1H2,(H3,5,6)
InChIKeyUXOMNWZJEHPFOH-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.14
Rot. Bonds1

About 1-prop-2-enylideneguanidine

1-prop-2-enylideneguanidine (PubChem CID 173495659) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-prop-2-enylideneguanidine.

Molecular Properties

Compound Name1-prop-2-enylideneguanidine
PubChem CID173495659
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1-prop-2-enylideneguanidine
SMILES[H]/N=C(\N)N=CC=C
InChIInChI=1S/C4H7N3/c1-2-3-7-4(5)6/h2-3H,1H2,(H3,5,6)
InChIKeyUXOMNWZJEHPFOH-UHFFFAOYSA-N
XLogP0.14
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylideneguanidine?
The IUPAC name of 1-prop-2-enylideneguanidine (CID 173495659) is 1-prop-2-enylideneguanidine.
What is the SMILES notation for 1-prop-2-enylideneguanidine?
The canonical SMILES for 1-prop-2-enylideneguanidine is [H]/N=C(\N)N=CC=C.
What is the InChIKey of 1-prop-2-enylideneguanidine?
The InChIKey is UXOMNWZJEHPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-2-3-7-4(5)6/h2-3H,1H2,(H3,5,6).
What are the key properties of 1-prop-2-enylideneguanidine?
1-prop-2-enylideneguanidine has a molecular weight of 97.12 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylideneguanidine is sourced from PubChem (CID 173495659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).