2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate

C15H23NO4 — CID 139363624

IUPAC2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCC1C2CCCC1CC2
InChIInChI=1S/C15H23NO4/c1-2-14(17)19-8-9-20-15(18)16-10-13-11-4-3-5-12(13)7-6-11/h2,11-13H,1,3-10H2,(H,16,18)
InChIKeyLAXKPHXRHMPRHW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.27
Rot. Bonds6

About 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate

2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate (PubChem CID 139363624) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate
PubChem CID139363624
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCC1C2CCCC1CC2
InChIInChI=1S/C15H23NO4/c1-2-14(17)19-8-9-20-15(18)16-10-13-11-4-3-5-12(13)7-6-11/h2,11-13H,1,3-10H2,(H,16,18)
InChIKeyLAXKPHXRHMPRHW-UHFFFAOYSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-7-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 129294107
4-[[7-[(4-prop-2-enoyloxybutoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 129276706
4-[[3-[(2-acetyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 134238587
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)ethyl prop-2-enoate
CID 70667209
2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate
CID 145163136
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate
CID 155136508
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
CID 146561836
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027

Frequently Asked Questions

What is the IUPAC name of 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate (CID 139363624) is 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)NCC1C2CCCC1CC2.
What is the InChIKey of 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate?
The InChIKey is LAXKPHXRHMPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-14(17)19-8-9-20-15(18)16-10-13-11-4-3-5-12(13)7-6-11/h2,11-13H,1,3-10H2,(H,16,18).
What are the key properties of 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate?
2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate has a molecular weight of 281.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 139363624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).