2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one

C12H18N2O — CID 66020466

IUPAC2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1C1CCCC1)CCCC2
InChIInChI=1S/C12H18N2O/c15-12-10-7-3-4-8-11(10)13-14(12)9-5-1-2-6-9/h9,13H,1-8H2
InChIKeyVNVIQZHIGCSXEB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.17
Rot. Bonds1

About 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one

2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 66020466) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID66020466
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1C1CCCC1)CCCC2
InChIInChI=1S/C12H18N2O/c15-12-10-7-3-4-8-11(10)13-14(12)9-5-1-2-6-9/h9,13H,1-8H2
InChIKeyVNVIQZHIGCSXEB-UHFFFAOYSA-N
XLogP2.17
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 66020466) is 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one is O=c1c2c([nH]n1C1CCCC1)CCCC2.
What is the InChIKey of 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is VNVIQZHIGCSXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-10-7-3-4-8-11(10)13-14(12)9-5-1-2-6-9/h9,13H,1-8H2.
What are the key properties of 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 66020466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).