2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H17NO — CID 3052861

IUPAC2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(C)C1(C(N)=O)CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-7(2)11(10(12)13)6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3,(H2,12,13)
InChIKeyKGRWXTQEPSOJHS-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.71
Rot. Bonds2

About 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide

2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 3052861) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID3052861
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(C)C1(C(N)=O)CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-7(2)11(10(12)13)6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3,(H2,12,13)
InChIKeyKGRWXTQEPSOJHS-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.71
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 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 3052861) is 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CC(C)C1(C(N)=O)CC2C=CC1C2.
What is the InChIKey of 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KGRWXTQEPSOJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)11(10(12)13)6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 3052861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).