(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol

C13H15NO — CID 116983338

IUPAC(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
SMILESCc1cc2cc(CO)cc3c2n1CCC3
InChIInChI=1S/C13H15NO/c1-9-5-12-7-10(8-15)6-11-3-2-4-14(9)13(11)12/h5-7,15H,2-4,8H2,1H3
InChIKeyDECJSAFBGWGTPM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.39
Rot. Bonds1

About (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol

(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol (PubChem CID 116983338) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
PubChem CID116983338
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
SMILESCc1cc2cc(CO)cc3c2n1CCC3
InChIInChI=1S/C13H15NO/c1-9-5-12-7-10(8-15)6-11-3-2-4-14(9)13(11)12/h5-7,15H,2-4,8H2,1H3
InChIKeyDECJSAFBGWGTPM-UHFFFAOYSA-N
XLogP2.39
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine
CID 116983316
1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol
CID 116983216
3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)aniline
CID 116983332
3-methyl-2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)butanenitrile
CID 116983403
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
CID 117275521
2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983374
2-methyl-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 131864653
3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol
CID 101477129
[1-(2,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)cyclopropyl]methanol
CID 116983477
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
2-(3,5-dimethylphenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carbonitrile
CID 102210764
[3-(3-bromo-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)oxetan-3-yl]methanol
CID 116983701

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol?
The IUPAC name of (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol (CID 116983338) is (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol.
What is the SMILES notation for (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol?
The canonical SMILES for (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol is Cc1cc2cc(CO)cc3c2n1CCC3.
What is the InChIKey of (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol?
The InChIKey is DECJSAFBGWGTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-5-12-7-10(8-15)6-11-3-2-4-14(9)13(11)12/h5-7,15H,2-4,8H2,1H3.
What are the key properties of (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol?
(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol has a molecular weight of 201.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol is sourced from PubChem (CID 116983338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).