spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one

C10H15NO2 — CID 130992733

IUPACspiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
SMILESO=C1COCC2(CCCC3CC32)N1
InChIInChI=1S/C10H15NO2/c12-9-5-13-6-10(11-9)3-1-2-7-4-8(7)10/h7-8H,1-6H2,(H,11,12)
InChIKeyDTMQGMHKQMEDEG-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds

About spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one

spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one (PubChem CID 130992733) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one.

Molecular Properties

Compound Namespiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
PubChem CID130992733
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namespiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one
SMILESO=C1COCC2(CCCC3CC32)N1
InChIInChI=1S/C10H15NO2/c12-9-5-13-6-10(11-9)3-1-2-7-4-8(7)10/h7-8H,1-6H2,(H,11,12)
InChIKeyDTMQGMHKQMEDEG-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one?
The IUPAC name of spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one (CID 130992733) is spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one.
What is the SMILES notation for spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one?
The canonical SMILES for spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one is O=C1COCC2(CCCC3CC32)N1.
What is the InChIKey of spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one?
The InChIKey is DTMQGMHKQMEDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-5-13-6-10(11-9)3-1-2-7-4-8(7)10/h7-8H,1-6H2,(H,11,12).
What are the key properties of spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one?
spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one has a molecular weight of 181.23 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[4.1.0]heptane-2,5'-morpholine]-3'-one is sourced from PubChem (CID 130992733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).