ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane

C19H32N2O2 — CID 162183952

IUPACethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.C=C(C)C(=O)NCC.CCOC#N
InChIInChI=1S/C10H16.C6H11NO.C3H5NO/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-4-7-6(8)5(2)3;1-2-5-3-4/h7-10H,1-6H2;2,4H2,1,3H3,(H,7,8);2H2,1H3
InChIKeyZPKJCWYQTSSWJC-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.04
Rot. Bonds3

About ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane

ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane (PubChem CID 162183952) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Nameethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane
PubChem CID162183952
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nameethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.C=C(C)C(=O)NCC.CCOC#N
InChIInChI=1S/C10H16.C6H11NO.C3H5NO/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-4-7-6(8)5(2)3;1-2-5-3-4/h7-10H,1-6H2;2,4H2,1,3H3,(H,7,8);2H2,1H3
InChIKeyZPKJCWYQTSSWJC-UHFFFAOYSA-N
XLogP4.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 158678922
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
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N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
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Frequently Asked Questions

What is the IUPAC name of ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane?
The IUPAC name of ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane (CID 162183952) is ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane?
The canonical SMILES for ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.C=C(C)C(=O)NCC.CCOC#N.
What is the InChIKey of ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane?
The InChIKey is ZPKJCWYQTSSWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C6H11NO.C3H5NO/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-4-7-6(8)5(2)3;1-2-5-3-4/h7-10H,1-6H2;2,4H2,1,3H3,(H,7,8);2H2,1H3.
What are the key properties of ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane?
ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane has a molecular weight of 320.48 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyanate;N-ethyl-2-methylprop-2-enamide;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 162183952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).