(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine

C4H7IN2 — CID 146788075

IUPAC(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
SMILES[H]/N=I/C=C\C(C)=N\[H]
InChIInChI=1S/C4H7IN2/c1-4(6)2-3-5-7/h2-3,6-7H,1H3/b3-2-,6-4+
InChIKeyRVGVLEXJVAZNFU-MGLVMYNNSA-N
MW210.02 g/mol
LogP2.27
Rot. Bonds2

About (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine

(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine (PubChem CID 146788075) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
PubChem CID146788075
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC Name(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
SMILES[H]/N=I/C=C\C(C)=N\[H]
InChIInChI=1S/C4H7IN2/c1-4(6)2-3-5-7/h2-3,6-7H,1H3/b3-2-,6-4+
InChIKeyRVGVLEXJVAZNFU-MGLVMYNNSA-N
XLogP2.27
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methoxyhex-3-en-2-imine
CID 123705474
(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 130413517
(Z)-4-iminopent-2-en-1-amine
CID 142289238
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
(Z)-hept-3-ene-2,5-diimine
CID 143456495
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
CID 143616909
(E)-4-(2,6-dichlorophenyl)but-3-en-2-imine
CID 141315845
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine?
The IUPAC name of (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine (CID 146788075) is (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine.
What is the SMILES notation for (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine?
The canonical SMILES for (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine is [H]/N=I/C=C\C(C)=N\[H].
What is the InChIKey of (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine?
The InChIKey is RVGVLEXJVAZNFU-MGLVMYNNSA-N. The full InChI is InChI=1S/C4H7IN2/c1-4(6)2-3-5-7/h2-3,6-7H,1H3/b3-2-,6-4+.
What are the key properties of (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine?
(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine has a molecular weight of 210.02 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine is sourced from PubChem (CID 146788075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).