2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride

C13H23ClN2O — CID 119449433

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC1C2)NC1CCNC1
InChIInChI=1S/C13H22N2O.ClH/c16-13(15-12-3-4-14-8-12)7-11-6-9-1-2-10(11)5-9;/h9-12,14H,1-8H2,(H,15,16);1H
InChIKeyIHPAGURHDDAKQM-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119449433) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119449433
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC1C2)NC1CCNC1
InChIInChI=1S/C13H22N2O.ClH/c16-13(15-12-3-4-14-8-12)7-11-6-9-1-2-10(11)5-9;/h9-12,14H,1-8H2,(H,15,16);1H
InChIKeyIHPAGURHDDAKQM-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 80564596
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
CID 43652801
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 129421859
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63870947
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119449433) is 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CC2CCC1C2)NC1CCNC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is IHPAGURHDDAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c16-13(15-12-3-4-14-8-12)7-11-6-9-1-2-10(11)5-9;/h9-12,14H,1-8H2,(H,15,16);1H.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.71, 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]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119449433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).