(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol

C15H18N2O — CID 117274377

IUPAC(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol
SMILESCn1c2c(c3cc(CO)ccc31)C1CCN2CC1
InChIInChI=1S/C15H18N2O/c1-16-13-3-2-10(9-18)8-12(13)14-11-4-6-17(7-5-11)15(14)16/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyGBFBDKDACGBXDL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.37
Rot. Bonds1

About (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol

(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol (PubChem CID 117274377) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol.

Molecular Properties

Compound Name(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol
PubChem CID117274377
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol
SMILESCn1c2c(c3cc(CO)ccc31)C1CCN2CC1
InChIInChI=1S/C15H18N2O/c1-16-13-3-2-10(9-18)8-12(13)14-11-4-6-17(7-5-11)15(14)16/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyGBFBDKDACGBXDL-UHFFFAOYSA-N
XLogP2.37
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol?
The IUPAC name of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol (CID 117274377) is (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol.
What is the SMILES notation for (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol?
The canonical SMILES for (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol is Cn1c2c(c3cc(CO)ccc31)C1CCN2CC1.
What is the InChIKey of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol?
The InChIKey is GBFBDKDACGBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-13-3-2-10(9-18)8-12(13)14-11-4-6-17(7-5-11)15(14)16/h2-3,8,11,18H,4-7,9H2,1H3.
What are the key properties of (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol?
(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol has a molecular weight of 242.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methanol is sourced from PubChem (CID 117274377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).