N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide

C10H15NO — CID 3555788

IUPACN-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CCC1C2
InChIInChI=1S/C10H15NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2,(H,11,12)
InChIKeyCYRBRQZTPDNLKV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide

N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide (PubChem CID 3555788) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide
PubChem CID3555788
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CCC1C2
InChIInChI=1S/C10H15NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2,(H,11,12)
InChIKeyCYRBRQZTPDNLKV-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide (CID 3555788) is N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide is C=CC(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The InChIKey is CYRBRQZTPDNLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2,(H,11,12).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide has a molecular weight of 165.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide is sourced from PubChem (CID 3555788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).