(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol

C11H16N2O — CID 58521583

IUPAC(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol
SMILESCn1nc(CO)c2c1C1CCC2CC1
InChIInChI=1S/C11H16N2O/c1-13-11-8-4-2-7(3-5-8)10(11)9(6-14)12-13/h7-8,14H,2-6H2,1H3
InChIKeyPMUVTIDFXCVYLQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.67
Rot. Bonds1

About (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol

(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol (PubChem CID 58521583) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol
PubChem CID58521583
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol
SMILESCn1nc(CO)c2c1C1CCC2CC1
InChIInChI=1S/C11H16N2O/c1-13-11-8-4-2-7(3-5-8)10(11)9(6-14)12-13/h7-8,14H,2-6H2,1H3
InChIKeyPMUVTIDFXCVYLQ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol?
The IUPAC name of (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol (CID 58521583) is (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol.
What is the SMILES notation for (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol?
The canonical SMILES for (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol is Cn1nc(CO)c2c1C1CCC2CC1.
What is the InChIKey of (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol?
The InChIKey is PMUVTIDFXCVYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-11-8-4-2-7(3-5-8)10(11)9(6-14)12-13/h7-8,14H,2-6H2,1H3.
What are the key properties of (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol?
(3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-dien-5-yl)methanol is sourced from PubChem (CID 58521583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).