6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline

C12H16N2O — CID 126954756

IUPAC6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline
SMILESC=CCOc1cc2c(nn1)CCC(C)C2
InChIInChI=1S/C12H16N2O/c1-3-6-15-12-8-10-7-9(2)4-5-11(10)13-14-12/h3,8-9H,1,4-7H2,2H3
InChIKeyNIDBQVKSYJZTKI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds3

About 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline

6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline (PubChem CID 126954756) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline
PubChem CID126954756
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline
SMILESC=CCOc1cc2c(nn1)CCC(C)C2
InChIInChI=1S/C12H16N2O/c1-3-6-15-12-8-10-7-9(2)4-5-11(10)13-14-12/h3,8-9H,1,4-7H2,2H3
InChIKeyNIDBQVKSYJZTKI-UHFFFAOYSA-N
XLogP2.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
CID 99978361
6-methyl-3-nitroso-5,6,7,8-tetrahydroquinoline
CID 176972000
6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888327
3-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methyl-5,6,7,8-tetrahydrocinnoline
CID 165434706
6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
CID 15462861
6,7-dichloro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 150751811
N-cyclopropyl-6-methyl-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890776
3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942453
6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914330
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
(7R)-7-methyl-5,6,7,8-tetrahydroisoquinolin-3-amine
CID 132548187
3-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid
CID 91811788

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline (CID 126954756) is 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline is C=CCOc1cc2c(nn1)CCC(C)C2.
What is the InChIKey of 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline?
The InChIKey is NIDBQVKSYJZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-6-15-12-8-10-7-9(2)4-5-11(10)13-14-12/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline?
6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline has a molecular weight of 204.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enoxy-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 126954756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).