9-(iodooxycarbonylamino)nonyl prop-2-enoate

C13H22INO4 — CID 154989530

IUPAC9-(iodooxycarbonylamino)nonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCNC(=O)OI
InChIInChI=1S/C13H22INO4/c1-2-12(16)18-11-9-7-5-3-4-6-8-10-15-13(17)19-14/h2H,1,3-11H2,(H,15,17)
InChIKeyVPZJDYLZEOLPBO-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.52
Rot. Bonds11

About 9-(iodooxycarbonylamino)nonyl prop-2-enoate

9-(iodooxycarbonylamino)nonyl prop-2-enoate (PubChem CID 154989530) has the molecular formula C13H22INO4 and a molecular weight of 383.23 g/mol. Its IUPAC name is 9-(iodooxycarbonylamino)nonyl prop-2-enoate.

Molecular Properties

Compound Name9-(iodooxycarbonylamino)nonyl prop-2-enoate
PubChem CID154989530
Molecular FormulaC13H22INO4
Molecular Weight383.23 g/mol
Exact Mass383.06
IUPAC Name9-(iodooxycarbonylamino)nonyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCNC(=O)OI
InChIInChI=1S/C13H22INO4/c1-2-12(16)18-11-9-7-5-3-4-6-8-10-15-13(17)19-14/h2H,1,3-11H2,(H,15,17)
InChIKeyVPZJDYLZEOLPBO-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(iodooxycarbonylamino)butyl prop-2-enoate
CID 154989529
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688

Frequently Asked Questions

What is the IUPAC name of 9-(iodooxycarbonylamino)nonyl prop-2-enoate?
The IUPAC name of 9-(iodooxycarbonylamino)nonyl prop-2-enoate (CID 154989530) is 9-(iodooxycarbonylamino)nonyl prop-2-enoate.
What is the SMILES notation for 9-(iodooxycarbonylamino)nonyl prop-2-enoate?
The canonical SMILES for 9-(iodooxycarbonylamino)nonyl prop-2-enoate is C=CC(=O)OCCCCCCCCCNC(=O)OI.
What is the InChIKey of 9-(iodooxycarbonylamino)nonyl prop-2-enoate?
The InChIKey is VPZJDYLZEOLPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22INO4/c1-2-12(16)18-11-9-7-5-3-4-6-8-10-15-13(17)19-14/h2H,1,3-11H2,(H,15,17).
What are the key properties of 9-(iodooxycarbonylamino)nonyl prop-2-enoate?
9-(iodooxycarbonylamino)nonyl prop-2-enoate has a molecular weight of 383.23 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(iodooxycarbonylamino)nonyl prop-2-enoate is sourced from PubChem (CID 154989530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).