3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline

C12H15N — CID 174279579

IUPAC3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline
SMILESC=C1NC2=C(C=C1C)CCC(C)=C2
InChIInChI=1S/C12H15N/c1-8-4-5-11-7-9(2)10(3)13-12(11)6-8/h6-7,13H,3-5H2,1-2H3
InChIKeyUBURCLLPDLVXKS-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.04
Rot. Bonds

About 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline

3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline (PubChem CID 174279579) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline.

Molecular Properties

Compound Name3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline
PubChem CID174279579
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline
SMILESC=C1NC2=C(C=C1C)CCC(C)=C2
InChIInChI=1S/C12H15N/c1-8-4-5-11-7-9(2)10(3)13-12(11)6-8/h6-7,13H,3-5H2,1-2H3
InChIKeyUBURCLLPDLVXKS-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline?
The IUPAC name of 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline (CID 174279579) is 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline.
What is the SMILES notation for 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline?
The canonical SMILES for 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline is C=C1NC2=C(C=C1C)CCC(C)=C2.
What is the InChIKey of 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline?
The InChIKey is UBURCLLPDLVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-4-5-11-7-9(2)10(3)13-12(11)6-8/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline?
3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline has a molecular weight of 173.26 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-methylidene-5,6-dihydro-1H-quinoline is sourced from PubChem (CID 174279579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).