8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C14H15N3O3S — CID 169257579

IUPAC8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESC=C1CCC[C@H]1n1c(=O)ccc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C14H15N3O3S/c1-9-4-3-5-11(9)17-12(18)7-6-10-8-15-14(16-13(10)17)21(2,19)20/h6-8,11H,1,3-5H2,2H3/t11-/m1/s1
InChIKeyCTZRHBVKCPLLJV-LLVKDONJSA-N
MW305.36 g/mol
LogP1.48
Rot. Bonds2

About 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 169257579) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID169257579
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESC=C1CCC[C@H]1n1c(=O)ccc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C14H15N3O3S/c1-9-4-3-5-11(9)17-12(18)7-6-10-8-15-14(16-13(10)17)21(2,19)20/h6-8,11H,1,3-5H2,2H3/t11-/m1/s1
InChIKeyCTZRHBVKCPLLJV-LLVKDONJSA-N
XLogP1.48
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 169257579) is 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is C=C1CCC[C@H]1n1c(=O)ccc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CTZRHBVKCPLLJV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-4-3-5-11(9)17-12(18)7-6-10-8-15-14(16-13(10)17)21(2,19)20/h6-8,11H,1,3-5H2,2H3/t11-/m1/s1.
What are the key properties of 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 305.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169257579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).