2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol

C12H18N2O — CID 4680832

IUPAC2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol
SMILESCc1nn(CCO)c2c1C1C(C2)C1(C)C
InChIInChI=1S/C12H18N2O/c1-7-10-9(14(13-7)4-5-15)6-8-11(10)12(8,2)3/h8,11,15H,4-6H2,1-3H3
InChIKeyZONATEUBOAGVSK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds2

About 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol

2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol (PubChem CID 4680832) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol.

Molecular Properties

Compound Name2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol
PubChem CID4680832
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol
SMILESCc1nn(CCO)c2c1C1C(C2)C1(C)C
InChIInChI=1S/C12H18N2O/c1-7-10-9(14(13-7)4-5-15)6-8-11(10)12(8,2)3/h8,11,15H,4-6H2,1-3H3
InChIKeyZONATEUBOAGVSK-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol?
The IUPAC name of 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol (CID 4680832) is 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol.
What is the SMILES notation for 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol?
The canonical SMILES for 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol is Cc1nn(CCO)c2c1C1C(C2)C1(C)C.
What is the InChIKey of 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol?
The InChIKey is ZONATEUBOAGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7-10-9(14(13-7)4-5-15)6-8-11(10)12(8,2)3/h8,11,15H,4-6H2,1-3H3.
What are the key properties of 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol?
2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanol is sourced from PubChem (CID 4680832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).