ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen

C18H28N2O2 — CID 142284478

IUPACethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen
SMILESCC.CC(=O)C1(O)CCC(c2ccc3nn(C)cc3c2)CC1.[H][H]
InChIInChI=1S/C16H20N2O2.C2H6.H2/c1-11(19)16(20)7-5-12(6-8-16)13-3-4-15-14(9-13)10-18(2)17-15;1-2;/h3-4,9-10,12,20H,5-8H2,1-2H3;1-2H3;1H
InChIKeyVUWLQXLVKFJFHY-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.82
Rot. Bonds2

About ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen

ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen (PubChem CID 142284478) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen
PubChem CID142284478
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen
SMILESCC.CC(=O)C1(O)CCC(c2ccc3nn(C)cc3c2)CC1.[H][H]
InChIInChI=1S/C16H20N2O2.C2H6.H2/c1-11(19)16(20)7-5-12(6-8-16)13-3-4-15-14(9-13)10-18(2)17-15;1-2;/h3-4,9-10,12,20H,5-8H2,1-2H3;1-2H3;1H
InChIKeyVUWLQXLVKFJFHY-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen?
The IUPAC name of ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen (CID 142284478) is ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen.
What is the SMILES notation for ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen?
The canonical SMILES for ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen is CC.CC(=O)C1(O)CCC(c2ccc3nn(C)cc3c2)CC1.[H][H].
What is the InChIKey of ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen?
The InChIKey is VUWLQXLVKFJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C2H6.H2/c1-11(19)16(20)7-5-12(6-8-16)13-3-4-15-14(9-13)10-18(2)17-15;1-2;/h3-4,9-10,12,20H,5-8H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen?
ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen has a molecular weight of 304.43 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-hydroxy-4-(2-methylindazol-5-yl)cyclohexyl]ethanone;molecular hydrogen is sourced from PubChem (CID 142284478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).