3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one

C11H10N2O — CID 2803168

IUPAC3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one
SMILESO=C1c2ccccc2C2=NCCCN12
InChIInChI=1S/C11H10N2O/c14-11-9-5-2-1-4-8(9)10-12-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
InChIKeyFBGOGHDRVWRWSS-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.29
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one

3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one (PubChem CID 2803168) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one
PubChem CID2803168
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one
SMILESO=C1c2ccccc2C2=NCCCN12
InChIInChI=1S/C11H10N2O/c14-11-9-5-2-1-4-8(9)10-12-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
InChIKeyFBGOGHDRVWRWSS-UHFFFAOYSA-N
XLogP1.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one?
The IUPAC name of 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one (CID 2803168) is 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one is O=C1c2ccccc2C2=NCCCN12.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one?
The InChIKey is FBGOGHDRVWRWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-9-5-2-1-4-8(9)10-12-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one?
3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one has a molecular weight of 186.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-one is sourced from PubChem (CID 2803168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).