spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one

C14H14N2O — CID 56957582

IUPACspiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one
SMILESO=C1N2CCCN=C2c2ccccc2C12CC2
InChIInChI=1S/C14H14N2O/c17-13-14(6-7-14)11-5-2-1-4-10(11)12-15-8-3-9-16(12)13/h1-2,4-5H,3,6-9H2
InChIKeyQQKXZBIOQXEAGZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.71
Rot. Bonds

About spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one

spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one (PubChem CID 56957582) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one.

Molecular Properties

Compound Namespiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one
PubChem CID56957582
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namespiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one
SMILESO=C1N2CCCN=C2c2ccccc2C12CC2
InChIInChI=1S/C14H14N2O/c17-13-14(6-7-14)11-5-2-1-4-10(11)12-15-8-3-9-16(12)13/h1-2,4-5H,3,6-9H2
InChIKeyQQKXZBIOQXEAGZ-UHFFFAOYSA-N
XLogP1.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methylspiro[2,3-dihydroimidazo[2,1-f][1,6]naphthyridine-6,1'-cyclopropane]-5-one
CID 10537285
1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclobutan-1-amine
CID 117331105
18-methoxy-2,6-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),6,8,10,12,16,18-heptaen-14-one
CID 21400393
1-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117362672
6-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol
CID 15959156
N-[(2-fluorophenyl)methyl]-2-(8-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl)acetamide
CID 46952561
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
2-(1',3'-dioxospiro[cyclopentane-1,4'-isoquinoline]-2'-yl)acetonitrile
CID 22763131
N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide
CID 95802865
2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
CID 22769302
2,5-dihydro-1H-imidazo[1,2-a]quinoxalin-4-one
CID 105442499
7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
CID 95798378

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one?
The IUPAC name of spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one (CID 56957582) is spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one.
What is the SMILES notation for spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one?
The canonical SMILES for spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one is O=C1N2CCCN=C2c2ccccc2C12CC2.
What is the InChIKey of spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one?
The InChIKey is QQKXZBIOQXEAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-13-14(6-7-14)11-5-2-1-4-10(11)12-15-8-3-9-16(12)13/h1-2,4-5H,3,6-9H2.
What are the key properties of spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one?
spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline-7,1'-cyclopropane]-6-one is sourced from PubChem (CID 56957582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).