spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one

C12H18N2O — CID 99804665

IUPACspiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one
SMILESO=C1NC2(CCCC2)NC2=C1CCCC2
InChIInChI=1S/C12H18N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h13H,1-8H2,(H,14,15)
InChIKeyCSPHHEGHGJCGHH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds

About spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one

spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one (PubChem CID 99804665) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Namespiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one
PubChem CID99804665
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namespiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one
SMILESO=C1NC2(CCCC2)NC2=C1CCCC2
InChIInChI=1S/C12H18N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h13H,1-8H2,(H,14,15)
InChIKeyCSPHHEGHGJCGHH-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[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one?
The IUPAC name of spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one (CID 99804665) is spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one.
What is the SMILES notation for spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one?
The canonical SMILES for spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one is O=C1NC2(CCCC2)NC2=C1CCCC2.
What is the InChIKey of spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one?
The InChIKey is CSPHHEGHGJCGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h13H,1-8H2,(H,14,15).
What are the key properties of spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one?
spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-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[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 99804665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).