2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C11H16N2O2 — CID 105461808

IUPAC2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCOCC1)CCC2
InChIInChI=1S/C11H16N2O2/c14-11-9-2-1-3-10(9)12-13(11)8-4-6-15-7-5-8/h8,12H,1-7H2
InChIKeyDTUKFVPXRNVNHI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds1

About 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 105461808) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID105461808
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCOCC1)CCC2
InChIInChI=1S/C11H16N2O2/c14-11-9-2-1-3-10(9)12-13(11)8-4-6-15-7-5-8/h8,12H,1-7H2
InChIKeyDTUKFVPXRNVNHI-UHFFFAOYSA-N
XLogP1.02
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 105461808) is 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1C1CCOCC1)CCC2.
What is the InChIKey of 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is DTUKFVPXRNVNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-9-2-1-3-10(9)12-13(11)8-4-6-15-7-5-8/h8,12H,1-7H2.
What are the key properties of 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 105461808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).