2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate

C17H23NO4 — CID 156509132

IUPAC2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1CC2CC1C1C=CCC21
InChIInChI=1S/C17H23NO4/c1-10(2)16(19)21-7-6-18-17(20)22-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3,(H,18,20)
InChIKeyVSSKUWRRIOBLAJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.43
Rot. Bonds5

About 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 156509132) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID156509132
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OC1CC2CC1C1C=CCC21
InChIInChI=1S/C17H23NO4/c1-10(2)16(19)21-7-6-18-17(20)22-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3,(H,18,20)
InChIKeyVSSKUWRRIOBLAJ-UHFFFAOYSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 98048334
[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 89153529
2-(8-tricyclo[5.2.1.02,6]dec-4-enylsulfanyl)ethyl 2-methylprop-2-enoate
CID 101010236
2-[[(3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 90287202
2-[[(3R,3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 70169084
[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 98154207
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
CID 157391279
(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 118202950
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
[(1S,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
CID 98078056
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980

Frequently Asked Questions

What is the IUPAC name of 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 156509132) is 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OC1CC2CC1C1C=CCC21.
What is the InChIKey of 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is VSSKUWRRIOBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10(2)16(19)21-7-6-18-17(20)22-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3,(H,18,20).
What are the key properties of 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 305.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tricyclo[5.2.1.02,6]dec-4-enyloxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 156509132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).