[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate

C14H19NO3 — CID 168890716

IUPAC[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=C1CC2CCC1(CC(N)=O)C2
InChIInChI=1S/C14H19NO3/c1-9(2)13(17)18-8-11-5-10-3-4-14(11,6-10)7-12(15)16/h8,10H,1,3-7H2,2H3,(H2,15,16)
InChIKeyPSLBMCFXDCWZSK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.06
Rot. Bonds4

About [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate

[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate (PubChem CID 168890716) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate
PubChem CID168890716
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=C1CC2CCC1(CC(N)=O)C2
InChIInChI=1S/C14H19NO3/c1-9(2)13(17)18-8-11-5-10-3-4-14(11,6-10)7-12(15)16/h8,10H,1,3-7H2,2H3,(H2,15,16)
InChIKeyPSLBMCFXDCWZSK-UHFFFAOYSA-N
XLogP2.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 141174149
(1,2-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 20820775
[3,5-bis(2-methylprop-2-enoyloxymethyl)-1-adamantyl]methyl 2-methylprop-2-enoate
CID 58325619
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 134171372
(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate
CID 140976676
2-(3-methyl-1-bicyclo[3.2.1]octanyl)propan-2-yl 2-methylprop-2-enoate
CID 163899012
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
[(E)-3-(1-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enoyl]peroxycarbonyl 2-methylprop-2-enoate
CID 140514232
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate?
The IUPAC name of [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate (CID 168890716) is [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate?
The canonical SMILES for [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=C1CC2CCC1(CC(N)=O)C2.
What is the InChIKey of [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate?
The InChIKey is PSLBMCFXDCWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)13(17)18-8-11-5-10-3-4-14(11,6-10)7-12(15)16/h8,10H,1,3-7H2,2H3,(H2,15,16).
What are the key properties of [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate?
[1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate has a molecular weight of 249.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-2-oxoethyl)-2-bicyclo[2.2.1]heptanylidene]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 168890716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).