8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one

C16H28N2O2 — CID 42650700

IUPAC8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one
SMILESCC(C)N1C(=O)NC2(CCCCC2)C2CCCCC21O
InChIInChI=1S/C16H28N2O2/c1-12(2)18-14(19)17-15(9-5-3-6-10-15)13-8-4-7-11-16(13,18)20/h12-13,20H,3-11H2,1-2H3,(H,17,19)
InChIKeyMPMDAEGLRCXFPA-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.00
Rot. Bonds1

About 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one

8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one (PubChem CID 42650700) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one
PubChem CID42650700
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one
SMILESCC(C)N1C(=O)NC2(CCCCC2)C2CCCCC21O
InChIInChI=1S/C16H28N2O2/c1-12(2)18-14(19)17-15(9-5-3-6-10-15)13-8-4-7-11-16(13,18)20/h12-13,20H,3-11H2,1-2H3,(H,17,19)
InChIKeyMPMDAEGLRCXFPA-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one?
The IUPAC name of 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one (CID 42650700) is 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one.
What is the SMILES notation for 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one?
The canonical SMILES for 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one is CC(C)N1C(=O)NC2(CCCCC2)C2CCCCC21O.
What is the InChIKey of 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one?
The InChIKey is MPMDAEGLRCXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)18-14(19)17-15(9-5-3-6-10-15)13-8-4-7-11-16(13,18)20/h12-13,20H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one?
8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one has a molecular weight of 280.41 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-1-propan-2-ylspiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-one is sourced from PubChem (CID 42650700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).