N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide

C12H21NO — CID 4246273

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
SMILESCCC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-12(14)13-8(2)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyYTMWTOGBJVLCHE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide (PubChem CID 4246273) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
PubChem CID4246273
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
SMILESCCC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C12H21NO/c1-3-12(14)13-8(2)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyYTMWTOGBJVLCHE-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide (CID 4246273) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide is CCC(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide?
The InChIKey is YTMWTOGBJVLCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-12(14)13-8(2)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide is sourced from PubChem (CID 4246273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).