2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H15NO — CID 3052860

IUPAC2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)C1(C2CC2)CC2C=CC1C2
InChIInChI=1S/C11H15NO/c12-10(13)11(8-3-4-8)6-7-1-2-9(11)5-7/h1-2,7-9H,3-6H2,(H2,12,13)
InChIKeyZMFHZMDQWQFWRL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.46
Rot. Bonds2

About 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide

2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 3052860) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID3052860
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)C1(C2CC2)CC2C=CC1C2
InChIInChI=1S/C11H15NO/c12-10(13)11(8-3-4-8)6-7-1-2-9(11)5-7/h1-2,7-9H,3-6H2,(H2,12,13)
InChIKeyZMFHZMDQWQFWRL-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.46
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-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 3052860) is 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide is NC(=O)C1(C2CC2)CC2C=CC1C2.
What is the InChIKey of 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ZMFHZMDQWQFWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-10(13)11(8-3-4-8)6-7-1-2-9(11)5-7/h1-2,7-9H,3-6H2,(H2,12,13).
What are the key properties of 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 177.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 3052860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).