N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide

C14H20N2O — CID 91393908

IUPACN-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide
SMILESN#CCCNC(=O)C1=CCC2(CCCCC2)C1
InChIInChI=1S/C14H20N2O/c15-9-4-10-16-13(17)12-5-8-14(11-12)6-2-1-3-7-14/h5H,1-4,6-8,10-11H2,(H,16,17)
InChIKeyJHLGZJGAFHJWPN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.69
Rot. Bonds3

About N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide

N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 91393908) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide
PubChem CID91393908
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide
SMILESN#CCCNC(=O)C1=CCC2(CCCCC2)C1
InChIInChI=1S/C14H20N2O/c15-9-4-10-16-13(17)12-5-8-14(11-12)6-2-1-3-7-14/h5H,1-4,6-8,10-11H2,(H,16,17)
InChIKeyJHLGZJGAFHJWPN-UHFFFAOYSA-N
XLogP2.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide (CID 91393908) is N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide is N#CCCNC(=O)C1=CCC2(CCCCC2)C1.
What is the InChIKey of N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is JHLGZJGAFHJWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-9-4-10-16-13(17)12-5-8-14(11-12)6-2-1-3-7-14/h5H,1-4,6-8,10-11H2,(H,16,17).
What are the key properties of N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide?
N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)spiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 91393908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).