N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide

C15H20N2O2 — CID 155815675

IUPACN-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide
SMILESO=C1CC2C=CCN2C=C1NC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O2/c18-14-9-12-7-4-8-17(12)10-13(14)16-15(19)11-5-2-1-3-6-11/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,19)
InChIKeyKFHSHVSLEHEEIM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.74
Rot. Bonds2

About N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide

N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide (PubChem CID 155815675) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide
PubChem CID155815675
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide
SMILESO=C1CC2C=CCN2C=C1NC(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O2/c18-14-9-12-7-4-8-17(12)10-13(14)16-15(19)11-5-2-1-3-6-11/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,19)
InChIKeyKFHSHVSLEHEEIM-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.74
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-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide (CID 155815675) is N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide is O=C1CC2C=CCN2C=C1NC(=O)C1CCCCC1.
What is the InChIKey of N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide?
The InChIKey is KFHSHVSLEHEEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-9-12-7-4-8-17(12)10-13(14)16-15(19)11-5-2-1-3-6-11/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,19).
What are the key properties of N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide?
N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-8,8a-dihydro-3H-indolizin-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 155815675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).