2-(iodoamino)ethyl 2-methylprop-2-enoate

C6H10INO2 — CID 144974054

IUPAC2-(iodoamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNI
InChIInChI=1S/C6H10INO2/c1-5(2)6(9)10-4-3-8-7/h8H,1,3-4H2,2H3
InChIKeyLIWVIMGTXCPKRU-UHFFFAOYSA-N
MW255.05 g/mol
LogP1.05
Rot. Bonds4

About 2-(iodoamino)ethyl 2-methylprop-2-enoate

2-(iodoamino)ethyl 2-methylprop-2-enoate (PubChem CID 144974054) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is 2-(iodoamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(iodoamino)ethyl 2-methylprop-2-enoate
PubChem CID144974054
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Name2-(iodoamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNI
InChIInChI=1S/C6H10INO2/c1-5(2)6(9)10-4-3-8-7/h8H,1,3-4H2,2H3
InChIKeyLIWVIMGTXCPKRU-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979

Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(iodoamino)ethyl 2-methylprop-2-enoate (CID 144974054) is 2-(iodoamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(iodoamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(iodoamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNI.
What is the InChIKey of 2-(iodoamino)ethyl 2-methylprop-2-enoate?
The InChIKey is LIWVIMGTXCPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2/c1-5(2)6(9)10-4-3-8-7/h8H,1,3-4H2,2H3.
What are the key properties of 2-(iodoamino)ethyl 2-methylprop-2-enoate?
2-(iodoamino)ethyl 2-methylprop-2-enoate has a molecular weight of 255.05 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 144974054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).