N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

C13H23NO — CID 60644682

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCCC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H23NO/c1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyGBMHHBUMFAXVJM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds2

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (PubChem CID 60644682) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
PubChem CID60644682
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESCCC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H23NO/c1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyGBMHHBUMFAXVJM-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (CID 60644682) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is CCC(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The InChIKey is GBMHHBUMFAXVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide has a molecular weight of 209.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is sourced from PubChem (CID 60644682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).