methyl(2-nitrosopropylidene)-λ3-iodane

C4H8INO — CID 163434613

IUPACmethyl(2-nitrosopropylidene)-λ3-iodane
SMILESC/I=C/C(C)N=O
InChIInChI=1S/C4H8INO/c1-4(6-7)3-5-2/h3-4H,1-2H3
InChIKeyATJRIOVOXLUELF-UHFFFAOYSA-N
MW213.02 g/mol
LogP1.54
Rot. Bonds2

About methyl(2-nitrosopropylidene)-λ3-iodane

methyl(2-nitrosopropylidene)-λ3-iodane (PubChem CID 163434613) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is methyl(2-nitrosopropylidene)-λ3-iodane.

Molecular Properties

Compound Namemethyl(2-nitrosopropylidene)-λ3-iodane
PubChem CID163434613
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC Namemethyl(2-nitrosopropylidene)-λ3-iodane
SMILESC/I=C/C(C)N=O
InChIInChI=1S/C4H8INO/c1-4(6-7)3-5-2/h3-4H,1-2H3
InChIKeyATJRIOVOXLUELF-UHFFFAOYSA-N
XLogP1.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one
CID 123336554
2,5-dinitrosohexane
CID 54503397
CID 173497678
CID 173497678
1-nitrosoethanethiol
CID 173133459
3-bromo-2-nitrosobutan-1-amine
CID 89086389
[(Z)-4-methylpent-1-enyl]-[(Z)-prop-1-enyl]diazene
CID 139440788
prop-2-enyl (2S)-3-methyl-2-nitrosobutanoate
CID 166857606
(5S)-3,5-dimethyl-6-nitrosohept-1-ene
CID 174002272
2-nitrosobutylcyclopropane
CID 153181054
1-chloro-3-methyl-2-nitrosobutane
CID 22338293
(Z)-6-nitroso-3-propan-2-ylhex-2-ene
CID 163554902
O-(2-nitrosopropyl)hydroxylamine
CID 121258212

Frequently Asked Questions

What is the IUPAC name of methyl(2-nitrosopropylidene)-λ3-iodane?
The IUPAC name of methyl(2-nitrosopropylidene)-λ3-iodane (CID 163434613) is methyl(2-nitrosopropylidene)-λ3-iodane.
What is the SMILES notation for methyl(2-nitrosopropylidene)-λ3-iodane?
The canonical SMILES for methyl(2-nitrosopropylidene)-λ3-iodane is C/I=C/C(C)N=O.
What is the InChIKey of methyl(2-nitrosopropylidene)-λ3-iodane?
The InChIKey is ATJRIOVOXLUELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO/c1-4(6-7)3-5-2/h3-4H,1-2H3.
What are the key properties of methyl(2-nitrosopropylidene)-λ3-iodane?
methyl(2-nitrosopropylidene)-λ3-iodane has a molecular weight of 213.02 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-nitrosopropylidene)-λ3-iodane is sourced from PubChem (CID 163434613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).