1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide

C14H22N2O2 — CID 5459707

IUPAC1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
SMILESCNC(=O)C1(C)C=CC2(CCCCC2)N1C(C)=O
InChIInChI=1S/C14H22N2O2/c1-11(17)16-13(2,12(18)15-3)9-10-14(16)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyJOCLDERNCXRSGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds1

About 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide

1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide (PubChem CID 5459707) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
PubChem CID5459707
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
SMILESCNC(=O)C1(C)C=CC2(CCCCC2)N1C(C)=O
InChIInChI=1S/C14H22N2O2/c1-11(17)16-13(2,12(18)15-3)9-10-14(16)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H,15,18)
InChIKeyJOCLDERNCXRSGO-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
The IUPAC name of 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide (CID 5459707) is 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide.
What is the SMILES notation for 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
The canonical SMILES for 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide is CNC(=O)C1(C)C=CC2(CCCCC2)N1C(C)=O.
What is the InChIKey of 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
The InChIKey is JOCLDERNCXRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)16-13(2,12(18)15-3)9-10-14(16)7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide?
1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide is sourced from PubChem (CID 5459707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).