2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one

C14H23NO — CID 10822888

IUPAC2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one
SMILESCCC1CCC2(CCCCC2)C2CC(=O)N12
InChIInChI=1S/C14H23NO/c1-2-11-6-9-14(7-4-3-5-8-14)12-10-13(16)15(11)12/h11-12H,2-10H2,1H3
InChIKeyZXNAUOBPUNQCMN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds1

About 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one

2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one (PubChem CID 10822888) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one.

Molecular Properties

Compound Name2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one
PubChem CID10822888
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one
SMILESCCC1CCC2(CCCCC2)C2CC(=O)N12
InChIInChI=1S/C14H23NO/c1-2-11-6-9-14(7-4-3-5-8-14)12-10-13(16)15(11)12/h11-12H,2-10H2,1H3
InChIKeyZXNAUOBPUNQCMN-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one?
The IUPAC name of 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one (CID 10822888) is 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one.
What is the SMILES notation for 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one?
The canonical SMILES for 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one is CCC1CCC2(CCCCC2)C2CC(=O)N12.
What is the InChIKey of 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one?
The InChIKey is ZXNAUOBPUNQCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-11-6-9-14(7-4-3-5-8-14)12-10-13(16)15(11)12/h11-12H,2-10H2,1H3.
What are the key properties of 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one?
2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one has a molecular weight of 221.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylspiro[1-azabicyclo[4.2.0]octane-5,1'-cyclohexane]-8-one is sourced from PubChem (CID 10822888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).