prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate

C11H12INO2 — CID 6426310

IUPACprop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
SMILESC=CCOC(=O)Nc1ccc(C)cc1I
InChIInChI=1S/C11H12INO2/c1-3-6-15-11(14)13-10-5-4-8(2)7-9(10)12/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKeyOQJCRAOTCRGLPB-UHFFFAOYSA-N
MW317.13 g/mol
LogP3.33
Rot. Bonds3

About prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate

prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate (PubChem CID 6426310) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
PubChem CID6426310
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Nameprop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
SMILESC=CCOC(=O)Nc1ccc(C)cc1I
InChIInChI=1S/C11H12INO2/c1-3-6-15-11(14)13-10-5-4-8(2)7-9(10)12/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKeyOQJCRAOTCRGLPB-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745022
2,5-dimethyl-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167742474
prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
CID 91737375
6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid
CID 68819422
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037
2-[3-iodo-4-(prop-2-enoxycarbonylamino)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide
CID 162466909
(2-iodo-4-methylphenyl)thiourea
CID 44622934
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
prop-2-enyl N-(5-methylthiophen-2-yl)carbamate
CID 21064928
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate (CID 6426310) is prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate is C=CCOC(=O)Nc1ccc(C)cc1I.
What is the InChIKey of prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate?
The InChIKey is OQJCRAOTCRGLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c1-3-6-15-11(14)13-10-5-4-8(2)7-9(10)12/h3-5,7H,1,6H2,2H3,(H,13,14).
What are the key properties of prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate?
prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate has a molecular weight of 317.13 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate is sourced from PubChem (CID 6426310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).