N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H17NO — CID 131131857

IUPACN-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCN(C)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-3-12(2)11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyIFUYZAQRRJSHBJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.68
Rot. Bonds2

About N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 131131857) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID131131857
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCN(C)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-3-12(2)11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyIFUYZAQRRJSHBJ-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 131131857) is N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCN(C)C(=O)C1CC2C=CC1C2.
What is the InChIKey of N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is IFUYZAQRRJSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-12(2)11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 131131857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).