1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone

C12H18N2O2 — CID 3761630

IUPAC1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone
SMILESCC(=O)N1N=C(C)C2C3C(CC21O)C3(C)C
InChIInChI=1S/C12H18N2O2/c1-6-9-10-8(11(10,3)4)5-12(9,16)14(13-6)7(2)15/h8-10,16H,5H2,1-4H3
InChIKeyPVPPTBXEVMTCRI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.21
Rot. Bonds

About 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone

1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone (PubChem CID 3761630) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone
PubChem CID3761630
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone
SMILESCC(=O)N1N=C(C)C2C3C(CC21O)C3(C)C
InChIInChI=1S/C12H18N2O2/c1-6-9-10-8(11(10,3)4)5-12(9,16)14(13-6)7(2)15/h8-10,16H,5H2,1-4H3
InChIKeyPVPPTBXEVMTCRI-UHFFFAOYSA-N
XLogP1.21
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone (CID 3761630) is 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone is CC(=O)N1N=C(C)C2C3C(CC21O)C3(C)C.
What is the InChIKey of 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone?
The InChIKey is PVPPTBXEVMTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6-9-10-8(11(10,3)4)5-12(9,16)14(13-6)7(2)15/h8-10,16H,5H2,1-4H3.
What are the key properties of 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone?
1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]non-8-en-7-yl)ethanone is sourced from PubChem (CID 3761630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).