N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide

C12H19NO — CID 55250595

IUPACN-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESCC(C)(C)NC(=O)C1=CC2CCC1C2
InChIInChI=1S/C12H19NO/c1-12(2,3)13-11(14)10-7-8-4-5-9(10)6-8/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyFEAAVYVULQZFTC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds1

About N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide

N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide (PubChem CID 55250595) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide
PubChem CID55250595
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESCC(C)(C)NC(=O)C1=CC2CCC1C2
InChIInChI=1S/C12H19NO/c1-12(2,3)13-11(14)10-7-8-4-5-9(10)6-8/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyFEAAVYVULQZFTC-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
The IUPAC name of N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide (CID 55250595) is N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide.
What is the SMILES notation for N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
The canonical SMILES for N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide is CC(C)(C)NC(=O)C1=CC2CCC1C2.
What is the InChIKey of N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
The InChIKey is FEAAVYVULQZFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)13-11(14)10-7-8-4-5-9(10)6-8/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide?
N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbicyclo[2.2.1]hept-2-ene-2-carboxamide is sourced from PubChem (CID 55250595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).