2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide

C11H19NO — CID 42910279

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C11H19NO/c1-12(2)11(13)7-10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3
InChIKeyZXBMEFIUAKSVST-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide (PubChem CID 42910279) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
PubChem CID42910279
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C11H19NO/c1-12(2)11(13)7-10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3
InChIKeyZXBMEFIUAKSVST-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 43596040
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chlorocyclohexyl)-N-methylacetamide
CID 102638147
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79558871
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-N,N-dimethylacetamide
CID 98119461
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107736090
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
CID 62982751
2-(2-bicyclo[2.2.1]heptanyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866283
ethyl 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]prop-2-enoate
CID 10703588

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide (CID 42910279) is 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide?
The InChIKey is ZXBMEFIUAKSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)11(13)7-10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide has a molecular weight of 181.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide is sourced from PubChem (CID 42910279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).