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

C12H19NO — CID 18622232

IUPACN,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCNC(=O)C1(CC)CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-12(11(14)13-4-2)8-9-5-6-10(12)7-9/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyOUMFRHXBEUVQLM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds3

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

N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 18622232) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID18622232
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCNC(=O)C1(CC)CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-12(11(14)13-4-2)8-9-5-6-10(12)7-9/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyOUMFRHXBEUVQLM-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
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,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 18622232) is N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCNC(=O)C1(CC)CC2C=CC1C2.
What is the InChIKey of N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is OUMFRHXBEUVQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(11(14)13-4-2)8-9-5-6-10(12)7-9/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 18622232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).