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

C11H16N2O — CID 11862073

IUPAC[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol
SMILESCc1nn(CO)c2c1[C@@H]1[C@H](C2)C1(C)C
InChIInChI=1S/C11H16N2O/c1-6-9-8(13(5-14)12-6)4-7-10(9)11(7,2)3/h7,10,14H,4-5H2,1-3H3/t7-,10-/m0/s1
InChIKeyKNRKWWXNWMCCBT-XVKPBYJWSA-N
MW192.26 g/mol
LogP1.44
Rot. Bonds1

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

[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol (PubChem CID 11862073) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol
PubChem CID11862073
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol
SMILESCc1nn(CO)c2c1[C@@H]1[C@H](C2)C1(C)C
InChIInChI=1S/C11H16N2O/c1-6-9-8(13(5-14)12-6)4-7-10(9)11(7,2)3/h7,10,14H,4-5H2,1-3H3/t7-,10-/m0/s1
InChIKeyKNRKWWXNWMCCBT-XVKPBYJWSA-N
XLogP1.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol?
The IUPAC name of [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol (CID 11862073) is [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol.
What is the SMILES notation for [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol?
The canonical SMILES for [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol is Cc1nn(CO)c2c1[C@@H]1[C@H](C2)C1(C)C.
What is the InChIKey of [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol?
The InChIKey is KNRKWWXNWMCCBT-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H16N2O/c1-6-9-8(13(5-14)12-6)4-7-10(9)11(7,2)3/h7,10,14H,4-5H2,1-3H3/t7-,10-/m0/s1.
What are the key properties of [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol?
[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol is sourced from PubChem (CID 11862073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).