2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine

C7H10IN3 — CID 163847997

IUPAC2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine
SMILESNC(N)=NC1=C(I)C=CCC1
InChIInChI=1S/C7H10IN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1,3H,2,4H2,(H4,9,10,11)
InChIKeyORWCWFFCDSKTNX-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.26
Rot. Bonds1

About 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine

2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine (PubChem CID 163847997) has the molecular formula C7H10IN3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine.

Molecular Properties

Compound Name2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine
PubChem CID163847997
Molecular FormulaC7H10IN3
Molecular Weight263.08 g/mol
Exact Mass262.99
IUPAC Name2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine
SMILESNC(N)=NC1=C(I)C=CCC1
InChIInChI=1S/C7H10IN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1,3H,2,4H2,(H4,9,10,11)
InChIKeyORWCWFFCDSKTNX-UHFFFAOYSA-N
XLogP1.26
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.26
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine?
The IUPAC name of 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine (CID 163847997) is 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine.
What is the SMILES notation for 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine?
The canonical SMILES for 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine is NC(N)=NC1=C(I)C=CCC1.
What is the InChIKey of 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine?
The InChIKey is ORWCWFFCDSKTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1,3H,2,4H2,(H4,9,10,11).
What are the key properties of 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine?
2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine has a molecular weight of 263.08 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodocyclohexa-1,3-dien-1-yl)guanidine is sourced from PubChem (CID 163847997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).