2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide

C14H24N2O2 — CID 43596040

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC1C2)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C14H24N2O2/c1-16(12-7-15-8-13(12)17)14(18)6-11-5-9-2-3-10(11)4-9/h9-13,15,17H,2-8H2,1H3/t9?,10?,11?,12-,13-/m1/s1
InChIKeyOESBJCHOLWFPMP-FRRVBIHZSA-N
MW252.36 g/mol
LogP0.60
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide (PubChem CID 43596040) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
PubChem CID43596040
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC1C2)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C14H24N2O2/c1-16(12-7-15-8-13(12)17)14(18)6-11-5-9-2-3-10(11)4-9/h9-13,15,17H,2-8H2,1H3/t9?,10?,11?,12-,13-/m1/s1
InChIKeyOESBJCHOLWFPMP-FRRVBIHZSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chlorocyclohexyl)-N-methylacetamide
CID 102638147
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628941
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
CID 62982751
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107736090
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63715010
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79558871
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide (CID 43596040) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide is CN(C(=O)CC1CC2CCC1C2)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is OESBJCHOLWFPMP-FRRVBIHZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(12-7-15-8-13(12)17)14(18)6-11-5-9-2-3-10(11)4-9/h9-13,15,17H,2-8H2,1H3/t9?,10?,11?,12-,13-/m1/s1.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 252.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 43596040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).