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

C16H18ClNO — CID 15096037

IUPAC7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCC(C)=Cc1oc2ccc(Cl)c3c2c1CN(C)CC3
InChIInChI=1S/C16H18ClNO/c1-10(2)8-15-12-9-18(3)7-6-11-13(17)4-5-14(19-15)16(11)12/h4-5,8H,6-7,9H2,1-3H3
InChIKeyMYQCVMLUPSRBHA-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.50
Rot. Bonds1

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

7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (PubChem CID 15096037) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.

Molecular Properties

Compound Name7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
PubChem CID15096037
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
SMILESCC(C)=Cc1oc2ccc(Cl)c3c2c1CN(C)CC3
InChIInChI=1S/C16H18ClNO/c1-10(2)8-15-12-9-18(3)7-6-11-13(17)4-5-14(19-15)16(11)12/h4-5,8H,6-7,9H2,1-3H3
InChIKeyMYQCVMLUPSRBHA-UHFFFAOYSA-N
XLogP4.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The IUPAC name of 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene (CID 15096037) is 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene.
What is the SMILES notation for 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The canonical SMILES for 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene is CC(C)=Cc1oc2ccc(Cl)c3c2c1CN(C)CC3.
What is the InChIKey of 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
The InChIKey is MYQCVMLUPSRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10(2)8-15-12-9-18(3)7-6-11-13(17)4-5-14(19-15)16(11)12/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene?
7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene has a molecular weight of 275.78 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-11-methyl-2-(2-methylprop-1-enyl)-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene is sourced from PubChem (CID 15096037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).