2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide

C13H20N2O — CID 55137320

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
SMILESCCC(C#N)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H20N2O/c1-2-12(8-14)15-13(16)7-11-6-9-3-4-10(11)5-9/h9-12H,2-7H2,1H3,(H,15,16)
InChIKeyMTNPXQNSNHJZBK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide (PubChem CID 55137320) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
PubChem CID55137320
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
SMILESCCC(C#N)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H20N2O/c1-2-12(8-14)15-13(16)7-11-6-9-3-4-10(11)5-9/h9-12H,2-7H2,1H3,(H,15,16)
InChIKeyMTNPXQNSNHJZBK-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
CID 63931263
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]propanedinitrile
CID 112732099
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide (CID 55137320) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide is CCC(C#N)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide?
The InChIKey is MTNPXQNSNHJZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12(8-14)15-13(16)7-11-6-9-3-4-10(11)5-9/h9-12H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 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-(1-cyanopropyl)acetamide is sourced from PubChem (CID 55137320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).