N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C14H16N2O — CID 107126680

IUPACN-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESN#CCCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C14H16N2O/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13H,3,6-7,9-10H2,(H,16,17)
InChIKeyKBRCJHKJSDBBTJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.82
Rot. Bonds3

About N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126680) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126680
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESN#CCCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C14H16N2O/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13H,3,6-7,9-10H2,(H,16,17)
InChIKeyKBRCJHKJSDBBTJ-UHFFFAOYSA-N
XLogP1.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.82
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126680) is N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is N#CCCNC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KBRCJHKJSDBBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13H,3,6-7,9-10H2,(H,16,17).
What are the key properties of N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).