(3-hydroxyiminobutan-2-ylideneamino) hypoiodite

C4H7IN2O2 — CID 137184585

IUPAC(3-hydroxyiminobutan-2-ylideneamino) hypoiodite
SMILESCC(=NO)C(C)=NOI
InChIInChI=1S/C4H7IN2O2/c1-3(6-8)4(2)7-9-5/h8H,1-2H3
InChIKeyKZWCAUHPMJORGW-UHFFFAOYSA-N
MW242.02 g/mol
LogP1.58
Rot. Bonds2

About (3-hydroxyiminobutan-2-ylideneamino) hypoiodite

(3-hydroxyiminobutan-2-ylideneamino) hypoiodite (PubChem CID 137184585) has the molecular formula C4H7IN2O2 and a molecular weight of 242.02 g/mol. Its IUPAC name is (3-hydroxyiminobutan-2-ylideneamino) hypoiodite.

Molecular Properties

Compound Name(3-hydroxyiminobutan-2-ylideneamino) hypoiodite
PubChem CID137184585
Molecular FormulaC4H7IN2O2
Molecular Weight242.02 g/mol
Exact Mass241.96
IUPAC Name(3-hydroxyiminobutan-2-ylideneamino) hypoiodite
SMILESCC(=NO)C(C)=NOI
InChIInChI=1S/C4H7IN2O2/c1-3(6-8)4(2)7-9-5/h8H,1-2H3
InChIKeyKZWCAUHPMJORGW-UHFFFAOYSA-N
XLogP1.58
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.02
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 174673280
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
(1,3-diiodopropan-2-ylideneamino) hypoiodite
CID 139438555
(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
CID 135897357
N-[3-[(4-methylphenyl)methoxyimino]butan-2-ylidene]hydroxylamine
CID 137187620
(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
CID 135801394
N-hydroxyethanimidoyl iodide
CID 173361883
N-[(3E)-3-methoxyiminopentan-2-ylidene]hydroxylamine
CID 172986045
methyl N-[(E)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]carbamate
CID 136643574
acetyl 2-hydroxyiminopropanoate
CID 174342286
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyiminobutan-2-ylideneamino) hypoiodite?
The IUPAC name of (3-hydroxyiminobutan-2-ylideneamino) hypoiodite (CID 137184585) is (3-hydroxyiminobutan-2-ylideneamino) hypoiodite.
What is the SMILES notation for (3-hydroxyiminobutan-2-ylideneamino) hypoiodite?
The canonical SMILES for (3-hydroxyiminobutan-2-ylideneamino) hypoiodite is CC(=NO)C(C)=NOI.
What is the InChIKey of (3-hydroxyiminobutan-2-ylideneamino) hypoiodite?
The InChIKey is KZWCAUHPMJORGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN2O2/c1-3(6-8)4(2)7-9-5/h8H,1-2H3.
What are the key properties of (3-hydroxyiminobutan-2-ylideneamino) hypoiodite?
(3-hydroxyiminobutan-2-ylideneamino) hypoiodite has a molecular weight of 242.02 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyiminobutan-2-ylideneamino) hypoiodite is sourced from PubChem (CID 137184585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).