2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide

C10H16N2O — CID 68501918

IUPAC2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide
SMILESC=C(NC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C10H16N2O/c1-6(10(11)13)12-9-5-7-2-3-8(9)4-7/h7-9,12H,1-5H2,(H2,11,13)
InChIKeyXHKNIPONGBXCSG-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide

2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide (PubChem CID 68501918) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide
PubChem CID68501918
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide
SMILESC=C(NC1CC2CCC1C2)C(N)=O
InChIInChI=1S/C10H16N2O/c1-6(10(11)13)12-9-5-7-2-3-8(9)4-7/h7-9,12H,1-5H2,(H2,11,13)
InChIKeyXHKNIPONGBXCSG-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide (CID 68501918) is 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide is C=C(NC1CC2CCC1C2)C(N)=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide?
The InChIKey is XHKNIPONGBXCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(10(11)13)12-9-5-7-2-3-8(9)4-7/h7-9,12H,1-5H2,(H2,11,13).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide?
2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide has a molecular weight of 180.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylamino)prop-2-enamide is sourced from PubChem (CID 68501918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).