2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

C12H16N2O — CID 103767079

IUPAC2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCC(C#N)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H16N2O/c1-6(5-13)12(15)14-11-9-7-2-3-8(4-7)10(9)11/h6-11H,2-4H2,1H3,(H,14,15)
InChIKeyHJBCHZJZNDHZAK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds2

About 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (PubChem CID 103767079) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
PubChem CID103767079
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCC(C#N)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H16N2O/c1-6(5-13)12(15)14-11-9-7-2-3-8(4-7)10(9)11/h6-11H,2-4H2,1H3,(H,14,15)
InChIKeyHJBCHZJZNDHZAK-UHFFFAOYSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
CID 103798202
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069
2-cyano-N-(oxetan-3-yl)propanamide
CID 163414148
2-cyano-N-[(1R,2R)-2-hydroxycyclobutyl]propanamide
CID 130670272
2-cyano-N-(2,4-dimethylcyclohexyl)propanamide
CID 63997154
2-cyano-N-(2,2-dimethylcyclohexyl)propanamide
CID 79877982
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
CID 131131939
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
2-propan-2-yloxy-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103767092
2-[methyl(3-tricyclo[3.2.1.02,4]octanylcarbamoyl)amino]propanoic acid
CID 114096749
2-cyano-N-(2-cyclopropylpropan-2-yl)propanamide
CID 103718279

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The IUPAC name of 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (CID 103767079) is 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.
What is the SMILES notation for 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The canonical SMILES for 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is CC(C#N)C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The InChIKey is HJBCHZJZNDHZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-6(5-13)12(15)14-11-9-7-2-3-8(4-7)10(9)11/h6-11H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide has a molecular weight of 204.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is sourced from PubChem (CID 103767079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).