7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride

C13H15Cl2NO — CID 22153436

IUPAC7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
SMILESCc1oc2ccc(Cl)c3c2c1CN(C)CC3.Cl
InChIInChI=1S/C13H14ClNO.ClH/c1-8-10-7-15(2)6-5-9-11(14)3-4-12(16-8)13(9)10;/h3-4H,5-7H2,1-2H3;1H
InChIKeyQLHOYQXNKIZDIN-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.80
Rot. Bonds

About 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride

7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride (PubChem CID 22153436) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride.

Molecular Properties

Compound Name7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
PubChem CID22153436
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
SMILESCc1oc2ccc(Cl)c3c2c1CN(C)CC3.Cl
InChIInChI=1S/C13H14ClNO.ClH/c1-8-10-7-15(2)6-5-9-11(14)3-4-12(16-8)13(9)10;/h3-4H,5-7H2,1-2H3;1H
InChIKeyQLHOYQXNKIZDIN-UHFFFAOYSA-N
XLogP3.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(chloromethyl)-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride
CID 22153464
7-chloro-11-methyl-2-(2-methylpropyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 22153423
[(E)-2-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)ethenyl]phosphonic acid;hydrochloride
CID 70374226
4-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)but-3-en-2-one
CID 54392561
(E)-3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)prop-2-enoyl chloride
CID 19977967
7-chloro-11-methyl-2-(1,3-oxazol-5-yl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 19977978
2-[(E)-2-tert-butylsulfonylethenyl]-7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 88615919
(Z)-2-chloro-3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)prop-2-enoic acid
CID 18641339
7-chloro-11-methyl-2-(prop-2-enoxymethyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 15096046
(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid
CID 22151344
(E)-3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)-2-methylprop-2-enoate
CID 18641333
7-chloro-N,11-dimethyl-N-(2-phenylethyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-carboxamide;hydrochloride
CID 22153474

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
The IUPAC name of 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride (CID 22153436) is 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride.
What is the SMILES notation for 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
The canonical SMILES for 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride is Cc1oc2ccc(Cl)c3c2c1CN(C)CC3.Cl.
What is the InChIKey of 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
The InChIKey is QLHOYQXNKIZDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO.ClH/c1-8-10-7-15(2)6-5-9-11(14)3-4-12(16-8)13(9)10;/h3-4H,5-7H2,1-2H3;1H.
What are the key properties of 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride?
7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride has a molecular weight of 272.17 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene;hydrochloride is sourced from PubChem (CID 22153436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).