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

C13H14ClNO — CID 10130897

IUPAC7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCc1oc2ccc(Cl)c3c2c1CN(C)CC3
InChIInChI=1S/C13H14ClNO/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
InChIKeyINVNGXJFHXHHFR-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.38
Rot. Bonds

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

7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (PubChem CID 10130897) has the molecular formula C13H14ClNO and a molecular weight of 235.71 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.

Molecular Properties

Compound Name7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
PubChem CID10130897
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCc1oc2ccc(Cl)c3c2c1CN(C)CC3
InChIInChI=1S/C13H14ClNO/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
InChIKeyINVNGXJFHXHHFR-UHFFFAOYSA-N
XLogP3.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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?
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 (CID 10130897) is 7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.
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?
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 is Cc1oc2ccc(Cl)c3c2c1CN(C)CC3.
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?
The InChIKey is INVNGXJFHXHHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/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.
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?
7-chloro-2,11-dimethyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene has a molecular weight of 235.71 g/mol, XLogP of 3.38, 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 is sourced from PubChem (CID 10130897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).