1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol

C12H13NO — CID 117275521

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
SMILESOCc1cc2cccc3c2n1CCC3
InChIInChI=1S/C12H13NO/c14-8-11-7-10-4-1-3-9-5-2-6-13(11)12(9)10/h1,3-4,7,14H,2,5-6,8H2
InChIKeyGHUJAPOLBUQPST-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.08
Rot. Bonds1

About 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol

1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol (PubChem CID 117275521) 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(12),5,7-tetraen-2-ylmethanol.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
PubChem CID117275521
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
SMILESOCc1cc2cccc3c2n1CCC3
InChIInChI=1S/C12H13NO/c14-8-11-7-10-4-1-3-9-5-2-6-13(11)12(9)10/h1,3-4,7,14H,2,5-6,8H2
InChIKeyGHUJAPOLBUQPST-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

1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-ylmethanol
CID 46707887
(2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid
CID 125361978
3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enoic acid
CID 2736144
(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
CID 116983338
3-(2-aminobutyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one;hydrochloride
CID 170889347
7-(1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carbonylamino)heptanoic acid
CID 59535511
2-amino-2-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)acetonitrile
CID 121210378
3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol
CID 101477129
N-cyclohexyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxamide
CID 4153589
ethyl (3R)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoate
CID 95389778
3-[[4-(2,6-dichloropyridine-4-carbonyl)piperazin-1-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
CID 3291916
(Z)-2-acetamido-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enoic acid
CID 18802161

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol (CID 117275521) is 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol is OCc1cc2cccc3c2n1CCC3.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol?
The InChIKey is GHUJAPOLBUQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-8-11-7-10-4-1-3-9-5-2-6-13(11)12(9)10/h1,3-4,7,14H,2,5-6,8H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol?
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-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(12),5,7-tetraen-2-ylmethanol is sourced from PubChem (CID 117275521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).