1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol

C12H13NO — CID 116983216

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol
SMILESOCc1cc2c3c(ccn3CCC2)c1
InChIInChI=1S/C12H13NO/c14-8-9-6-10-2-1-4-13-5-3-11(7-9)12(10)13/h3,5-7,14H,1-2,4,8H2
InChIKeyBTUYZJUECYOMFJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.08
Rot. Bonds1

About 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol

1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol (PubChem CID 116983216) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol
PubChem CID116983216
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol
SMILESOCc1cc2c3c(ccn3CCC2)c1
InChIInChI=1S/C12H13NO/c14-8-9-6-10-2-1-4-13-5-3-11(7-9)12(10)13/h3,5-7,14H,1-2,4,8H2
InChIKeyBTUYZJUECYOMFJ-UHFFFAOYSA-N
XLogP2.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine
CID 116983186
(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
CID 116983338
6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983194
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
CID 117275521
(7-bromo-1-methylindol-5-yl)methanol
CID 139560764
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
N-[(2,6-dimethoxy-4-methylphenyl)-(3-methoxypropyl)carbamoyl]-N-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-6-carboxamide
CID 18936482
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-[4-(hydroxymethyl)phenyl]methanone
CID 10063823
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 161315971
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene
CID 67368320
8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 130038645

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol (CID 116983216) is 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol is OCc1cc2c3c(ccn3CCC2)c1.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol?
The InChIKey is BTUYZJUECYOMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-8-9-6-10-2-1-4-13-5-3-11(7-9)12(10)13/h3,5-7,14H,1-2,4,8H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol?
1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol has a molecular weight of 187.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol is sourced from PubChem (CID 116983216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).