N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide

C6H9IN2 — CID 88582082

IUPACN-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(C)=C\I
InChIInChI=1S/C6H9IN2/c1-5(3-7)4-9-6(2)8/h3-4,8H,1-2H3/b5-3-,8-6+,9-4+
InChIKeyCTFMSIBJTMDQGJ-PNMCXMJLSA-N
MW236.06 g/mol
LogP2.39
Rot. Bonds1

About N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide

N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide (PubChem CID 88582082) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide
PubChem CID88582082
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC NameN-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(C)=C\I
InChIInChI=1S/C6H9IN2/c1-5(3-7)4-9-6(2)8/h3-4,8H,1-2H3/b5-3-,8-6+,9-4+
InChIKeyCTFMSIBJTMDQGJ-PNMCXMJLSA-N
XLogP2.39
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide?
The IUPAC name of N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide (CID 88582082) is N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide.
What is the SMILES notation for N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide?
The canonical SMILES for N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C(C)=C\I.
What is the InChIKey of N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide?
The InChIKey is CTFMSIBJTMDQGJ-PNMCXMJLSA-N. The full InChI is InChI=1S/C6H9IN2/c1-5(3-7)4-9-6(2)8/h3-4,8H,1-2H3/b5-3-,8-6+,9-4+.
What are the key properties of N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide?
N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide has a molecular weight of 236.06 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide is sourced from PubChem (CID 88582082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).