N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide

C6H9IN2 — CID 118516106

IUPACN-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C(/C)I
InChIInChI=1S/C6H9IN2/c1-5(7)3-6(2)9-4-8/h3-4,8H,1-2H3/b5-3-,8-4+,9-6+
InChIKeyVSTQZRGRJPEDLD-TYKJNVJLSA-N
MW236.06 g/mol
LogP2.39
Rot. Bonds2

About N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide

N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide (PubChem CID 118516106) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide
PubChem CID118516106
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC NameN-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C(/C)I
InChIInChI=1S/C6H9IN2/c1-5(7)3-6(2)9-4-8/h3-4,8H,1-2H3/b5-3-,8-4+,9-6+
InChIKeyVSTQZRGRJPEDLD-TYKJNVJLSA-N
XLogP2.39
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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)-4-iodopent-3-en-2-ylidene]methanimidamide?
The IUPAC name of N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide (CID 118516106) is N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide?
The canonical SMILES for N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide is [H]/N=C/N=C(C)/C=C(/C)I.
What is the InChIKey of N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide?
The InChIKey is VSTQZRGRJPEDLD-TYKJNVJLSA-N. The full InChI is InChI=1S/C6H9IN2/c1-5(7)3-6(2)9-4-8/h3-4,8H,1-2H3/b5-3-,8-4+,9-6+.
What are the key properties of N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide?
N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide has a molecular weight of 236.06 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-iodopent-3-en-2-ylidene]methanimidamide is sourced from PubChem (CID 118516106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).