2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide

C14H24N2O — CID 80564596

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1CCNC1
InChIInChI=1S/C14H24N2O/c17-14(16-9-11-3-4-15-8-11)7-13-6-10-1-2-12(13)5-10/h10-13,15H,1-9H2,(H,16,17)
InChIKeyTUWFDKNMXLIYPM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide (PubChem CID 80564596) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
PubChem CID80564596
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1CCNC1
InChIInChI=1S/C14H24N2O/c17-14(16-9-11-3-4-15-8-11)7-13-6-10-1-2-12(13)5-10/h10-13,15H,1-9H2,(H,16,17)
InChIKeyTUWFDKNMXLIYPM-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide
CID 63682104
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
CID 106129003
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084483
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
CID 113273845
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63870947
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-yloxypropanamide
CID 63904900
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide (CID 80564596) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide is O=C(CC1CC2CCC1C2)NCC1CCNC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The InChIKey is TUWFDKNMXLIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14(16-9-11-3-4-15-8-11)7-13-6-10-1-2-12(13)5-10/h10-13,15H,1-9H2,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide has a molecular weight of 236.36 g/mol, XLogP of 1.54, 4 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]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide is sourced from PubChem (CID 80564596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).