N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide

C16H22N2O2 — CID 155815051

IUPACN-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide
SMILESO=C1CC2CC=CCN2C=C1NC(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-15-10-13-8-4-5-9-18(13)11-14(15)17-16(20)12-6-2-1-3-7-12/h4-5,11-13H,1-3,6-10H2,(H,17,20)
InChIKeyILEBPFZFLYETSS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds2

About N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide

N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide (PubChem CID 155815051) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide
PubChem CID155815051
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide
SMILESO=C1CC2CC=CCN2C=C1NC(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-15-10-13-8-4-5-9-18(13)11-14(15)17-16(20)12-6-2-1-3-7-12/h4-5,11-13H,1-3,6-10H2,(H,17,20)
InChIKeyILEBPFZFLYETSS-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide (CID 155815051) is N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide is O=C1CC2CC=CCN2C=C1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide?
The InChIKey is ILEBPFZFLYETSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-10-13-8-4-5-9-18(13)11-14(15)17-16(20)12-6-2-1-3-7-12/h4-5,11-13H,1-3,6-10H2,(H,17,20).
What are the key properties of N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide?
N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 155815051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).