bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide

C11H17NO — CID 174497036

IUPACbicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide
SMILESC1=C2CCC(C1)C2.C=C(C)C(N)=O
InChIInChI=1S/C7H10.C4H7NO/c1-2-7-4-3-6(1)5-7;1-3(2)4(5)6/h1,7H,2-5H2;1H2,2H3,(H2,5,6)
InChIKeyPIXOFKABQZJERK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds1

About bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide

bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide (PubChem CID 174497036) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide
PubChem CID174497036
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namebicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide
SMILESC1=C2CCC(C1)C2.C=C(C)C(N)=O
InChIInChI=1S/C7H10.C4H7NO/c1-2-7-4-3-6(1)5-7;1-3(2)4(5)6/h1,7H,2-5H2;1H2,2H3,(H2,5,6)
InChIKeyPIXOFKABQZJERK-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide?
The IUPAC name of bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide (CID 174497036) is bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide.
What is the SMILES notation for bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide?
The canonical SMILES for bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide is C1=C2CCC(C1)C2.C=C(C)C(N)=O.
What is the InChIKey of bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide?
The InChIKey is PIXOFKABQZJERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C4H7NO/c1-2-7-4-3-6(1)5-7;1-3(2)4(5)6/h1,7H,2-5H2;1H2,2H3,(H2,5,6).
What are the key properties of bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide?
bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide has a molecular weight of 179.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-1-ene;2-methylprop-2-enamide is sourced from PubChem (CID 174497036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).