1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine

C10H15N5 — CID 176531520

IUPAC1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1(C=C)C=CC=CC1
InChIInChI=1S/C10H15N5/c1-2-10(6-4-3-5-7-10)15-9(13)14-8(11)12/h2-6H,1,7H2,(H6,11,12,13,14,15)
InChIKeyQPXGRUIPCZPDJS-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.23
Rot. Bonds2

About 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine

1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine (PubChem CID 176531520) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine
PubChem CID176531520
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1(C=C)C=CC=CC1
InChIInChI=1S/C10H15N5/c1-2-10(6-4-3-5-7-10)15-9(13)14-8(11)12/h2-6H,1,7H2,(H6,11,12,13,14,15)
InChIKeyQPXGRUIPCZPDJS-UHFFFAOYSA-N
XLogP0.23
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.23
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-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine (CID 176531520) is 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine is [H]/N=C(\N)N/C(N)=N/C1(C=C)C=CC=CC1.
What is the InChIKey of 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine?
The InChIKey is QPXGRUIPCZPDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-2-10(6-4-3-5-7-10)15-9(13)14-8(11)12/h2-6H,1,7H2,(H6,11,12,13,14,15).
What are the key properties of 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine?
1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(1-ethenylcyclohexa-2,4-dien-1-yl)guanidine is sourced from PubChem (CID 176531520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).