1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C12H16N2OS — CID 40805409

IUPAC1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2c(n1C1CCCC1)CCC2
InChIInChI=1S/C12H16N2OS/c15-12-13-11(16)9-6-3-7-10(9)14(12)8-4-1-2-5-8/h8H,1-7H2,(H,13,15,16)
InChIKeyYPXBARIQGLGNNT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.51
Rot. Bonds1

About 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 40805409) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID40805409
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2c(n1C1CCCC1)CCC2
InChIInChI=1S/C12H16N2OS/c15-12-13-11(16)9-6-3-7-10(9)14(12)8-4-1-2-5-8/h8H,1-7H2,(H,13,15,16)
InChIKeyYPXBARIQGLGNNT-UHFFFAOYSA-N
XLogP2.51
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 40805409) is 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is O=c1[nH]c(=S)c2c(n1C1CCCC1)CCC2.
What is the InChIKey of 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is YPXBARIQGLGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-12-13-11(16)9-6-3-7-10(9)14(12)8-4-1-2-5-8/h8H,1-7H2,(H,13,15,16).
What are the key properties of 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 236.34 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 40805409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).