bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole

C12H20N2O — CID 144866527

IUPACbicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole
SMILESCC.Cc1ccn[nH]1.O=C1CC2CC2C1
InChIInChI=1S/C6H8O.C4H6N2.C2H6/c7-6-2-4-1-5(4)3-6;1-4-2-3-5-6-4;1-2/h4-5H,1-3H2;2-3H,1H3,(H,5,6);1-2H3
InChIKeyANEHIGVRYSLCAV-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.73
Rot. Bonds

About bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole

bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole (PubChem CID 144866527) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole.

Molecular Properties

Compound Namebicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole
PubChem CID144866527
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Namebicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole
SMILESCC.Cc1ccn[nH]1.O=C1CC2CC2C1
InChIInChI=1S/C6H8O.C4H6N2.C2H6/c7-6-2-4-1-5(4)3-6;1-4-2-3-5-6-4;1-2/h4-5H,1-3H2;2-3H,1H3,(H,5,6);1-2H3
InChIKeyANEHIGVRYSLCAV-UHFFFAOYSA-N
XLogP2.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole?
The IUPAC name of bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole (CID 144866527) is bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole.
What is the SMILES notation for bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole?
The canonical SMILES for bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole is CC.Cc1ccn[nH]1.O=C1CC2CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole?
The InChIKey is ANEHIGVRYSLCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C4H6N2.C2H6/c7-6-2-4-1-5(4)3-6;1-4-2-3-5-6-4;1-2/h4-5H,1-3H2;2-3H,1H3,(H,5,6);1-2H3.
What are the key properties of bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole?
bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole has a molecular weight of 208.31 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexan-3-one;ethane;5-methyl-1H-pyrazole is sourced from PubChem (CID 144866527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).