spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one

C10H12N2O3 — CID 156621200

IUPACspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one
SMILESO=C1N=CN=C2CCC3(CC12)OCCO3
InChIInChI=1S/C10H12N2O3/c13-9-7-5-10(14-3-4-15-10)2-1-8(7)11-6-12-9/h6-7H,1-5H2
InChIKeyXMEOQUDWJIRMDW-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.54
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one

spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one (PubChem CID 156621200) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one
PubChem CID156621200
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namespiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one
SMILESO=C1N=CN=C2CCC3(CC12)OCCO3
InChIInChI=1S/C10H12N2O3/c13-9-7-5-10(14-3-4-15-10)2-1-8(7)11-6-12-9/h6-7H,1-5H2
InChIKeyXMEOQUDWJIRMDW-UHFFFAOYSA-N
XLogP0.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one (CID 156621200) is spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one is O=C1N=CN=C2CCC3(CC12)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one?
The InChIKey is XMEOQUDWJIRMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9-7-5-10(14-3-4-15-10)2-1-8(7)11-6-12-9/h6-7H,1-5H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one?
spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one has a molecular weight of 208.22 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydroquinazoline]-4'-one is sourced from PubChem (CID 156621200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).