2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate

C14H14INO4 — CID 118731047

IUPAC2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate
SMILESC=C1C(=O)OC[C@@H]1CCOC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H14INO4/c1-9-10(8-20-13(9)17)6-7-19-14(18)16-12-4-2-11(15)3-5-12/h2-5,10H,1,6-8H2,(H,16,18)/t10-/m0/s1
InChIKeyOLPFSGAIEMBSBD-JTQLQIEISA-N
MW387.17 g/mol
LogP2.96
Rot. Bonds4

About 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate

2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate (PubChem CID 118731047) has the molecular formula C14H14INO4 and a molecular weight of 387.17 g/mol. Its IUPAC name is 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate.

Molecular Properties

Compound Name2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate
PubChem CID118731047
Molecular FormulaC14H14INO4
Molecular Weight387.17 g/mol
Exact Mass387.00
IUPAC Name2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate
SMILESC=C1C(=O)OC[C@@H]1CCOC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H14INO4/c1-9-10(8-20-13(9)17)6-7-19-14(18)16-12-4-2-11(15)3-5-12/h2-5,10H,1,6-8H2,(H,16,18)/t10-/m0/s1
InChIKeyOLPFSGAIEMBSBD-JTQLQIEISA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethoxycarbonylamino]benzoate
CID 118731049
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
CID 114796625
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
benzyl N-[4-[(1S,5R,6R)-2-oxo-3-oxabicyclo[3.1.0]hexan-6-yl]phenyl]carbamate
CID 58978058
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
cyclopentylmethyl N-[4-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]phenyl]carbamate
CID 23392489
2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
CID 23414889

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate?
The IUPAC name of 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate (CID 118731047) is 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate.
What is the SMILES notation for 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate?
The canonical SMILES for 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate is C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate?
The InChIKey is OLPFSGAIEMBSBD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14INO4/c1-9-10(8-20-13(9)17)6-7-19-14(18)16-12-4-2-11(15)3-5-12/h2-5,10H,1,6-8H2,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate?
2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate has a molecular weight of 387.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate is sourced from PubChem (CID 118731047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).