spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one

C12H18N2O — CID 683207

IUPACspiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one
SMILESO=C1NC2(CCCCC2)NC2=C1CCC2
InChIInChI=1S/C12H18N2O/c15-11-9-5-4-6-10(9)13-12(14-11)7-2-1-3-8-12/h13H,1-8H2,(H,14,15)
InChIKeyDHWUCXMIWCRSLV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds

About spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one

spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one (PubChem CID 683207) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Namespiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one
PubChem CID683207
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namespiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one
SMILESO=C1NC2(CCCCC2)NC2=C1CCC2
InChIInChI=1S/C12H18N2O/c15-11-9-5-4-6-10(9)13-12(14-11)7-2-1-3-8-12/h13H,1-8H2,(H,14,15)
InChIKeyDHWUCXMIWCRSLV-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one?
The IUPAC name of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one (CID 683207) is spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one.
What is the SMILES notation for spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one?
The canonical SMILES for spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one is O=C1NC2(CCCCC2)NC2=C1CCC2.
What is the InChIKey of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one?
The InChIKey is DHWUCXMIWCRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-11-9-5-4-6-10(9)13-12(14-11)7-2-1-3-8-12/h13H,1-8H2,(H,14,15).
What are the key properties of spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one?
spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 683207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).