[(E)-1-iodoprop-1-enyl] carbamate

C4H6INO2 — CID 87920039

IUPAC[(E)-1-iodoprop-1-enyl] carbamate
SMILESC/C=C(/I)OC(N)=O
InChIInChI=1S/C4H6INO2/c1-2-3(5)8-4(6)7/h2H,1H3,(H2,6,7)/b3-2-
InChIKeyLWQXTEKOPDLACY-IHWYPQMZSA-N
MW227.00 g/mol
LogP1.38
Rot. Bonds1

About [(E)-1-iodoprop-1-enyl] carbamate

[(E)-1-iodoprop-1-enyl] carbamate (PubChem CID 87920039) has the molecular formula C4H6INO2 and a molecular weight of 227.00 g/mol. Its IUPAC name is [(E)-1-iodoprop-1-enyl] carbamate.

Molecular Properties

Compound Name[(E)-1-iodoprop-1-enyl] carbamate
PubChem CID87920039
Molecular FormulaC4H6INO2
Molecular Weight227.00 g/mol
Exact Mass226.94
IUPAC Name[(E)-1-iodoprop-1-enyl] carbamate
SMILESC/C=C(/I)OC(N)=O
InChIInChI=1S/C4H6INO2/c1-2-3(5)8-4(6)7/h2H,1H3,(H2,6,7)/b3-2-
InChIKeyLWQXTEKOPDLACY-IHWYPQMZSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.00
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamoyl carbamate;dihydrochloride
CID 175326234
[(E)-ethylideneamino] carbamate
CID 141143420
methyl 2-carbamoyloxybut-2-enoate
CID 173435391
2-iodobut-2-enamide
CID 174630742
carbamoyl acetate;manganese
CID 160559412
1-iodoprop-1-en-1-amine
CID 141312363
carbamoyl 2-oxoacetate
CID 139389967
4-O-carbamoyl 1-O-methyl butanedioate
CID 175302695
carbamoyl (2R)-2-aminopropanoate
CID 139238224
acetaldehyde;ethyl carbamate
CID 23340289
carbamoyl 2,2-dimethylpropanimidate
CID 144873528
ruthenium;urea
CID 161030938

Frequently Asked Questions

What is the IUPAC name of [(E)-1-iodoprop-1-enyl] carbamate?
The IUPAC name of [(E)-1-iodoprop-1-enyl] carbamate (CID 87920039) is [(E)-1-iodoprop-1-enyl] carbamate.
What is the SMILES notation for [(E)-1-iodoprop-1-enyl] carbamate?
The canonical SMILES for [(E)-1-iodoprop-1-enyl] carbamate is C/C=C(/I)OC(N)=O.
What is the InChIKey of [(E)-1-iodoprop-1-enyl] carbamate?
The InChIKey is LWQXTEKOPDLACY-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H6INO2/c1-2-3(5)8-4(6)7/h2H,1H3,(H2,6,7)/b3-2-.
What are the key properties of [(E)-1-iodoprop-1-enyl] carbamate?
[(E)-1-iodoprop-1-enyl] carbamate has a molecular weight of 227.00 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodoprop-1-enyl] carbamate is sourced from PubChem (CID 87920039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).