N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C13H13NO2 — CID 141292933

IUPACN-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCOCCNC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C13H13NO2/c1-16-5-4-14-13(15)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyPGKAKZHONIDTPE-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.26
Rot. Bonds4

About N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292933) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292933
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCOCCNC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C13H13NO2/c1-16-5-4-14-13(15)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyPGKAKZHONIDTPE-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292933) is N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is COCCNC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is PGKAKZHONIDTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-5-4-14-13(15)10-3-2-9-11-6-8(11)7-12(9)10/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).