4-(iodooxycarbonylamino)butyl prop-2-enoate

C8H12INO4 — CID 154989529

IUPAC4-(iodooxycarbonylamino)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNC(=O)OI
InChIInChI=1S/C8H12INO4/c1-2-7(11)13-6-4-3-5-10-8(12)14-9/h2H,1,3-6H2,(H,10,12)
InChIKeyTVWFEZIPLXHCMH-UHFFFAOYSA-N
MW313.09 g/mol
LogP1.57
Rot. Bonds6

About 4-(iodooxycarbonylamino)butyl prop-2-enoate

4-(iodooxycarbonylamino)butyl prop-2-enoate (PubChem CID 154989529) has the molecular formula C8H12INO4 and a molecular weight of 313.09 g/mol. Its IUPAC name is 4-(iodooxycarbonylamino)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(iodooxycarbonylamino)butyl prop-2-enoate
PubChem CID154989529
Molecular FormulaC8H12INO4
Molecular Weight313.09 g/mol
Exact Mass312.98
IUPAC Name4-(iodooxycarbonylamino)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNC(=O)OI
InChIInChI=1S/C8H12INO4/c1-2-7(11)13-6-4-3-5-10-8(12)14-9/h2H,1,3-6H2,(H,10,12)
InChIKeyTVWFEZIPLXHCMH-UHFFFAOYSA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.09
LogP ≤ 51.57
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

9-(iodooxycarbonylamino)nonyl prop-2-enoate
CID 154989530
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
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-(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
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
propan-2-yl 4-oxo-4-(4-prop-2-enoyloxybutylamino)butanoate
CID 59532817

Frequently Asked Questions

What is the IUPAC name of 4-(iodooxycarbonylamino)butyl prop-2-enoate?
The IUPAC name of 4-(iodooxycarbonylamino)butyl prop-2-enoate (CID 154989529) is 4-(iodooxycarbonylamino)butyl prop-2-enoate.
What is the SMILES notation for 4-(iodooxycarbonylamino)butyl prop-2-enoate?
The canonical SMILES for 4-(iodooxycarbonylamino)butyl prop-2-enoate is C=CC(=O)OCCCCNC(=O)OI.
What is the InChIKey of 4-(iodooxycarbonylamino)butyl prop-2-enoate?
The InChIKey is TVWFEZIPLXHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INO4/c1-2-7(11)13-6-4-3-5-10-8(12)14-9/h2H,1,3-6H2,(H,10,12).
What are the key properties of 4-(iodooxycarbonylamino)butyl prop-2-enoate?
4-(iodooxycarbonylamino)butyl prop-2-enoate has a molecular weight of 313.09 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodooxycarbonylamino)butyl prop-2-enoate is sourced from PubChem (CID 154989529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).