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

C13H20N2O — CID 55209376

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H20N2O/c14-5-1-2-6-15-13(16)9-12-8-10-3-4-11(12)7-10/h10-12H,1-4,6-9H2,(H,15,16)
InChIKeyZAUUZVZLNOPMKQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide (PubChem CID 55209376) 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-(3-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
PubChem CID55209376
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H20N2O/c14-5-1-2-6-15-13(16)9-12-8-10-3-4-11(12)7-10/h10-12H,1-4,6-9H2,(H,15,16)
InChIKeyZAUUZVZLNOPMKQ-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
CID 103708805
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63870947
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177065
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
CID 63931263
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide (CID 55209376) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide is N#CCCCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide?
The InChIKey is ZAUUZVZLNOPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-5-1-2-6-15-13(16)9-12-8-10-3-4-11(12)7-10/h10-12H,1-4,6-9H2,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.23, 5 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-(3-cyanopropyl)acetamide is sourced from PubChem (CID 55209376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).