prop-2-ynyl N-(3-iodophenyl)carbamate

C10H8INO2 — CID 22016211

IUPACprop-2-ynyl N-(3-iodophenyl)carbamate
SMILESC#CCOC(=O)Nc1cccc(I)c1
InChIInChI=1S/C10H8INO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h1,3-5,7H,6H2,(H,12,13)
InChIKeyQAPLAFKFEATEKZ-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.47
Rot. Bonds2

About prop-2-ynyl N-(3-iodophenyl)carbamate

prop-2-ynyl N-(3-iodophenyl)carbamate (PubChem CID 22016211) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is prop-2-ynyl N-(3-iodophenyl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(3-iodophenyl)carbamate
PubChem CID22016211
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Nameprop-2-ynyl N-(3-iodophenyl)carbamate
SMILESC#CCOC(=O)Nc1cccc(I)c1
InChIInChI=1S/C10H8INO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h1,3-5,7H,6H2,(H,12,13)
InChIKeyQAPLAFKFEATEKZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methylcarbamic acid;prop-2-ynyl N-(3-hydroxyphenyl)carbamate
CID 23619616
(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide
CID 176889518
methyl N-(3-prop-2-ynoxyphenyl)carbamate
CID 137320753
3-iodoprop-2-ynyl N-(3-chlorophenyl)carbamate
CID 14229860
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
ethyl N-[(3-iodophenyl)carbamothioyl]carbamate
CID 86625894
prop-2-ynyl N-(4-prop-1-ynylphenyl)carbamate
CID 123939699
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(prop-2-ynoxycarbonylamino)phenyl] N-(2-methylpropyl)-N-phenylcarbamate
CID 154236371
methyl 2-(3-iodoanilino)-2-oxoacetate
CID 112683075
[2-(3-iodoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8014515

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(3-iodophenyl)carbamate?
The IUPAC name of prop-2-ynyl N-(3-iodophenyl)carbamate (CID 22016211) is prop-2-ynyl N-(3-iodophenyl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(3-iodophenyl)carbamate?
The canonical SMILES for prop-2-ynyl N-(3-iodophenyl)carbamate is C#CCOC(=O)Nc1cccc(I)c1.
What is the InChIKey of prop-2-ynyl N-(3-iodophenyl)carbamate?
The InChIKey is QAPLAFKFEATEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h1,3-5,7H,6H2,(H,12,13).
What are the key properties of prop-2-ynyl N-(3-iodophenyl)carbamate?
prop-2-ynyl N-(3-iodophenyl)carbamate has a molecular weight of 301.08 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(3-iodophenyl)carbamate is sourced from PubChem (CID 22016211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).