N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C12H19NO — CID 19810804

IUPACN,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCN(CC)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-13(4-2)12(14)11-8-9-5-6-10(11)7-9/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyDHMDYNNHVASVMA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.07
Rot. Bonds3

About N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 19810804) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID19810804
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCN(CC)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-13(4-2)12(14)11-8-9-5-6-10(11)7-9/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyDHMDYNNHVASVMA-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.07
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,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 19810804) is N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCN(CC)C(=O)C1CC2C=CC1C2.
What is the InChIKey of N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is DHMDYNNHVASVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13(4-2)12(14)11-8-9-5-6-10(11)7-9/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 19810804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).