3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C11H16N2O2 — CID 99824666

IUPAC3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCOCCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C11H16N2O2/c1-15-7-3-6-13-8-12-10-5-2-4-9(10)11(13)14/h8H,2-7H2,1H3
InChIKeyQYVSXYIZLOIXIB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.77
Rot. Bonds4

About 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 99824666) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID99824666
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCOCCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C11H16N2O2/c1-15-7-3-6-13-8-12-10-5-2-4-9(10)11(13)14/h8H,2-7H2,1H3
InChIKeyQYVSXYIZLOIXIB-UHFFFAOYSA-N
XLogP0.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 99824666) is 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is COCCCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is QYVSXYIZLOIXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-7-3-6-13-8-12-10-5-2-4-9(10)11(13)14/h8H,2-7H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 99824666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).