2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one

C11H18N2O — CID 12586569

IUPAC2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one
SMILESO=C1NN=C2CCCCCCCCC12
InChIInChI=1S/C11H18N2O/c14-11-9-7-5-3-1-2-4-6-8-10(9)12-13-11/h9H,1-8H2,(H,13,14)
InChIKeyQUFFVYGXOGYPJK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.22
Rot. Bonds

About 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one

2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one (PubChem CID 12586569) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one.

Molecular Properties

Compound Name2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one
PubChem CID12586569
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one
SMILESO=C1NN=C2CCCCCCCCC12
InChIInChI=1S/C11H18N2O/c14-11-9-7-5-3-1-2-4-6-8-10(9)12-13-11/h9H,1-8H2,(H,13,14)
InChIKeyQUFFVYGXOGYPJK-UHFFFAOYSA-N
XLogP2.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98157930
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4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
12-methyl-11-thia-3,4-diazatricyclo[8.3.0.02,6]trideca-1(10),2,12-trien-5-one
CID 10059324
2-tert-butyl-4,5,6,7-tetrahydro-3aH-indazol-3-one
CID 61382764
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetic acid
CID 78312896
(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one
CID 146579634
2-(3,4-dichlorophenyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 60646352
3-methylazonane-2,9-dione
CID 175922762
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CID 628856

Frequently Asked Questions

What is the IUPAC name of 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one?
The IUPAC name of 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one (CID 12586569) is 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one.
What is the SMILES notation for 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one?
The canonical SMILES for 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one is O=C1NN=C2CCCCCCCCC12.
What is the InChIKey of 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one?
The InChIKey is QUFFVYGXOGYPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-9-7-5-3-1-2-4-6-8-10(9)12-13-11/h9H,1-8H2,(H,13,14).
What are the key properties of 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one?
2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,4,5,6,7,8,9,10,11-decahydrocyclodeca[c]pyrazol-3-one is sourced from PubChem (CID 12586569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).