6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline

C13H16N2 — CID 123729667

IUPAC6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
SMILESC=CC1=CC2=CC(CC)=NN(C)C2C=C1
InChIInChI=1S/C13H16N2/c1-4-10-6-7-13-11(8-10)9-12(5-2)14-15(13)3/h4,6-9,13H,1,5H2,2-3H3
InChIKeyJEBWKSOXXBVCNL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.67
Rot. Bonds2

About 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline

6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline (PubChem CID 123729667) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline.

Molecular Properties

Compound Name6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
PubChem CID123729667
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
SMILESC=CC1=CC2=CC(CC)=NN(C)C2C=C1
InChIInChI=1S/C13H16N2/c1-4-10-6-7-13-11(8-10)9-12(5-2)14-15(13)3/h4,6-9,13H,1,5H2,2-3H3
InChIKeyJEBWKSOXXBVCNL-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dimethyl-5,7a-dihydroindazole;ethane
CID 90787896
N-methyl-N-(3-methylnona-3,5-dien-2-ylideneamino)propan-2-amine
CID 123449552
N-methyl-N-(3-methylidenehex-4-en-2-ylideneamino)ethanamine
CID 123591443
N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine
CID 123792832
2-methyl-3H-cinnoline
CID 144086324
N-methyl-N-[(E)-(3-methylcyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 144181886
2,4-Dimethyl-3,7-dihydroindazole;ethane
CID 145087226
ethane;N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 145680456
[(2-Dimethylboranyl-1-phenylethylidene)amino]-ethylazanide;yttrium
CID 149500854
Ethyl-(1-phenylpropylideneamino)azanide;yttrium
CID 163477381
N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]propan-2-amine
CID 170046280
ethane;N-methyl-N-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 170980463

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline?
The IUPAC name of 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline (CID 123729667) is 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline.
What is the SMILES notation for 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline?
The canonical SMILES for 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline is C=CC1=CC2=CC(CC)=NN(C)C2C=C1.
What is the InChIKey of 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline?
The InChIKey is JEBWKSOXXBVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-10-6-7-13-11(8-10)9-12(5-2)14-15(13)3/h4,6-9,13H,1,5H2,2-3H3.
What are the key properties of 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline?
6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline has a molecular weight of 200.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline is sourced from PubChem (CID 123729667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).