3-iodoprop-1-enyl N-butylcarbamate

C8H14INO2 — CID 54438518

IUPAC3-iodoprop-1-enyl N-butylcarbamate
SMILESCCCCNC(=O)OC=CCI
InChIInChI=1S/C8H14INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h4,7H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyWMKZAKWDJDKLIW-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.46
Rot. Bonds5

About 3-iodoprop-1-enyl N-butylcarbamate

3-iodoprop-1-enyl N-butylcarbamate (PubChem CID 54438518) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 3-iodoprop-1-enyl N-butylcarbamate.

Molecular Properties

Compound Name3-iodoprop-1-enyl N-butylcarbamate
PubChem CID54438518
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name3-iodoprop-1-enyl N-butylcarbamate
SMILESCCCCNC(=O)OC=CCI
InChIInChI=1S/C8H14INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h4,7H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyWMKZAKWDJDKLIW-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

phosphanyl N-butylcarbamate
CID 89204581
aminomethyl N-butylcarbamate
CID 139491046
2-iodopropyl N-butylcarbamate
CID 175153431
phosphono N-butylcarbamate
CID 154142807
tert-butyl N-butylcarbamate;methane
CID 153346289
1-iodopropan-2-yl N-butylcarbamoperoxoate
CID 142721276
octadec-9-enyl N-butylcarbamate
CID 91581457
methyl N-nonylcarbamate
CID 5102101
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
amino N-pentylcarbamate
CID 87397923
nonylcarbamoperoxoic acid
CID 140999734
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999

Frequently Asked Questions

What is the IUPAC name of 3-iodoprop-1-enyl N-butylcarbamate?
The IUPAC name of 3-iodoprop-1-enyl N-butylcarbamate (CID 54438518) is 3-iodoprop-1-enyl N-butylcarbamate.
What is the SMILES notation for 3-iodoprop-1-enyl N-butylcarbamate?
The canonical SMILES for 3-iodoprop-1-enyl N-butylcarbamate is CCCCNC(=O)OC=CCI.
What is the InChIKey of 3-iodoprop-1-enyl N-butylcarbamate?
The InChIKey is WMKZAKWDJDKLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h4,7H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 3-iodoprop-1-enyl N-butylcarbamate?
3-iodoprop-1-enyl N-butylcarbamate has a molecular weight of 283.11 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoprop-1-enyl N-butylcarbamate is sourced from PubChem (CID 54438518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).