8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline

C14H17NO2 — CID 3392603

IUPAC8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESC=C1NC(C)(C)Cc2cc3c(cc21)OCCO3
InChIInChI=1S/C14H17NO2/c1-9-11-7-13-12(16-4-5-17-13)6-10(11)8-14(2,3)15-9/h6-7,15H,1,4-5,8H2,2-3H3
InChIKeyGWXCUUBVRFUOPG-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.35
Rot. Bonds

About 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline

8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 3392603) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID3392603
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESC=C1NC(C)(C)Cc2cc3c(cc21)OCCO3
InChIInChI=1S/C14H17NO2/c1-9-11-7-13-12(16-4-5-17-13)6-10(11)8-14(2,3)15-9/h6-7,15H,1,4-5,8H2,2-3H3
InChIKeyGWXCUUBVRFUOPG-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline (CID 3392603) is 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline is C=C1NC(C)(C)Cc2cc3c(cc21)OCCO3.
What is the InChIKey of 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is GWXCUUBVRFUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-11-7-13-12(16-4-5-17-13)6-10(11)8-14(2,3)15-9/h6-7,15H,1,4-5,8H2,2-3H3.
What are the key properties of 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline?
8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 231.29 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6-methylidene-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 3392603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).