1-carbamimidoyl-1-prop-2-enylguanidine

C5H11N5 — CID 24839414

IUPAC1-carbamimidoyl-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(CC=C)/C(N)=N/[H]
InChIInChI=1S/C5H11N5/c1-2-3-10(4(6)7)5(8)9/h2H,1,3H2,(H3,6,7)(H3,8,9)
InChIKeySTSQMGUFJFHDIK-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.74
Rot. Bonds2

About 1-carbamimidoyl-1-prop-2-enylguanidine

1-carbamimidoyl-1-prop-2-enylguanidine (PubChem CID 24839414) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 1-carbamimidoyl-1-prop-2-enylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1-prop-2-enylguanidine
PubChem CID24839414
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name1-carbamimidoyl-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(CC=C)/C(N)=N/[H]
InChIInChI=1S/C5H11N5/c1-2-3-10(4(6)7)5(8)9/h2H,1,3H2,(H3,6,7)(H3,8,9)
InChIKeySTSQMGUFJFHDIK-UHFFFAOYSA-N
XLogP-0.74
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-1-prop-2-enylguanidine?
The IUPAC name of 1-carbamimidoyl-1-prop-2-enylguanidine (CID 24839414) is 1-carbamimidoyl-1-prop-2-enylguanidine.
What is the SMILES notation for 1-carbamimidoyl-1-prop-2-enylguanidine?
The canonical SMILES for 1-carbamimidoyl-1-prop-2-enylguanidine is [H]/N=C(\N)N(CC=C)/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoyl-1-prop-2-enylguanidine?
The InChIKey is STSQMGUFJFHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-2-3-10(4(6)7)5(8)9/h2H,1,3H2,(H3,6,7)(H3,8,9).
What are the key properties of 1-carbamimidoyl-1-prop-2-enylguanidine?
1-carbamimidoyl-1-prop-2-enylguanidine has a molecular weight of 141.18 g/mol, XLogP of -0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-prop-2-enylguanidine is sourced from PubChem (CID 24839414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).