butyl N-(ethylidene-λ3-iodanyl)carbamate

C7H14INO2 — CID 142664216

IUPACbutyl N-(ethylidene-λ3-iodanyl)carbamate
SMILESC/C=I/NC(=O)OCCCC
InChIInChI=1S/C7H14INO2/c1-3-5-6-11-7(10)9-8-4-2/h4H,3,5-6H2,1-2H3,(H,9,10)
InChIKeyLLTFMLGCTHSXSV-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.22
Rot. Bonds4

About butyl N-(ethylidene-λ3-iodanyl)carbamate

butyl N-(ethylidene-λ3-iodanyl)carbamate (PubChem CID 142664216) has the molecular formula C7H14INO2 and a molecular weight of 271.10 g/mol. Its IUPAC name is butyl N-(ethylidene-λ3-iodanyl)carbamate.

Molecular Properties

Compound Namebutyl N-(ethylidene-λ3-iodanyl)carbamate
PubChem CID142664216
Molecular FormulaC7H14INO2
Molecular Weight271.10 g/mol
Exact Mass271.01
IUPAC Namebutyl N-(ethylidene-λ3-iodanyl)carbamate
SMILESC/C=I/NC(=O)OCCCC
InChIInChI=1S/C7H14INO2/c1-3-5-6-11-7(10)9-8-4-2/h4H,3,5-6H2,1-2H3,(H,9,10)
InChIKeyLLTFMLGCTHSXSV-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-(ethylidene-λ3-iodanyl)carbamate?
The IUPAC name of butyl N-(ethylidene-λ3-iodanyl)carbamate (CID 142664216) is butyl N-(ethylidene-λ3-iodanyl)carbamate.
What is the SMILES notation for butyl N-(ethylidene-λ3-iodanyl)carbamate?
The canonical SMILES for butyl N-(ethylidene-λ3-iodanyl)carbamate is C/C=I/NC(=O)OCCCC.
What is the InChIKey of butyl N-(ethylidene-λ3-iodanyl)carbamate?
The InChIKey is LLTFMLGCTHSXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO2/c1-3-5-6-11-7(10)9-8-4-2/h4H,3,5-6H2,1-2H3,(H,9,10).
What are the key properties of butyl N-(ethylidene-λ3-iodanyl)carbamate?
butyl N-(ethylidene-λ3-iodanyl)carbamate has a molecular weight of 271.10 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(ethylidene-λ3-iodanyl)carbamate is sourced from PubChem (CID 142664216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).