10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one

C23H22N2O — CID 139234712

IUPAC10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one
SMILESO=C1NC2(CCCCC2)Nc2c1c1cccccc-1c2-c1ccccc1
InChIInChI=1S/C23H22N2O/c26-22-20-18-13-7-2-6-12-17(18)19(16-10-4-1-5-11-16)21(20)24-23(25-22)14-8-3-9-15-23/h1-2,4-7,10-13,24H,3,8-9,14-15H2,(H,25,26)
InChIKeyUXDMKPSWQRUONC-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.27
Rot. Bonds1

About 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one

10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one (PubChem CID 139234712) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one
PubChem CID139234712
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one
SMILESO=C1NC2(CCCCC2)Nc2c1c1cccccc-1c2-c1ccccc1
InChIInChI=1S/C23H22N2O/c26-22-20-18-13-7-2-6-12-17(18)19(16-10-4-1-5-11-16)21(20)24-23(25-22)14-8-3-9-15-23/h1-2,4-7,10-13,24H,3,8-9,14-15H2,(H,25,26)
InChIKeyUXDMKPSWQRUONC-UHFFFAOYSA-N
XLogP5.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one?
The IUPAC name of 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one (CID 139234712) is 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one?
The canonical SMILES for 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one is O=C1NC2(CCCCC2)Nc2c1c1cccccc-1c2-c1ccccc1.
What is the InChIKey of 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one?
The InChIKey is UXDMKPSWQRUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c26-22-20-18-13-7-2-6-12-17(18)19(16-10-4-1-5-11-16)21(20)24-23(25-22)14-8-3-9-15-23/h1-2,4-7,10-13,24H,3,8-9,14-15H2,(H,25,26).
What are the key properties of 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one?
10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one has a molecular weight of 342.44 g/mol, XLogP of 5.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylspiro[1,3-dihydroazuleno[2,1-d]pyrimidine-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 139234712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).