6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide

C14H17NO2 — CID 143061047

IUPAC6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide
SMILESCCOc1ccc(C(N)=O)c2c1C1CCC2C1
InChIInChI=1S/C14H17NO2/c1-2-17-11-6-5-10(14(15)16)12-8-3-4-9(7-8)13(11)12/h5-6,8-9H,2-4,7H2,1H3,(H2,15,16)
InChIKeyWEGBYBQTMPQJPI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.55
Rot. Bonds3

About 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide

6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide (PubChem CID 143061047) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide.

Molecular Properties

Compound Name6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide
PubChem CID143061047
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide
SMILESCCOc1ccc(C(N)=O)c2c1C1CCC2C1
InChIInChI=1S/C14H17NO2/c1-2-17-11-6-5-10(14(15)16)12-8-3-4-9(7-8)13(11)12/h5-6,8-9H,2-4,7H2,1H3,(H2,15,16)
InChIKeyWEGBYBQTMPQJPI-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide with MolForge

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Related Compounds

2,4-diethoxybenzamide
CID 17145726
4-cyclopropyl-2-ethoxybenzoyl chloride
CID 86612889
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
4-chloro-2-ethoxybenzamide
CID 126998915
[(1S,8R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] propanoate
CID 146215650
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
2-amino-3-ethoxybenzamide
CID 70121071
3,10-diethoxypentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2,4(9),10-triene
CID 15638188
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
2-chloro-4,5-diethoxybenzamide
CID 82268164
2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994

Frequently Asked Questions

What is the IUPAC name of 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide?
The IUPAC name of 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide (CID 143061047) is 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide.
What is the SMILES notation for 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide?
The canonical SMILES for 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide is CCOc1ccc(C(N)=O)c2c1C1CCC2C1.
What is the InChIKey of 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide?
The InChIKey is WEGBYBQTMPQJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-11-6-5-10(14(15)16)12-8-3-4-9(7-8)13(11)12/h5-6,8-9H,2-4,7H2,1H3,(H2,15,16).
What are the key properties of 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide?
6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide is sourced from PubChem (CID 143061047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).