7-methyl-4a,8a-dihydrocinnoline

C9H10N2 — CID 163775786

IUPAC7-methyl-4a,8a-dihydrocinnoline
SMILESCC1=CC2N=NC=CC2C=C1
InChIInChI=1S/C9H10N2/c1-7-2-3-8-4-5-10-11-9(8)6-7/h2-6,8-9H,1H3
InChIKeyMKIDLNQUJQQOLU-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.47
Rot. Bonds

About 7-methyl-4a,8a-dihydrocinnoline

7-methyl-4a,8a-dihydrocinnoline (PubChem CID 163775786) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7-methyl-4a,8a-dihydrocinnoline.

Molecular Properties

Compound Name7-methyl-4a,8a-dihydrocinnoline
PubChem CID163775786
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name7-methyl-4a,8a-dihydrocinnoline
SMILESCC1=CC2N=NC=CC2C=C1
InChIInChI=1S/C9H10N2/c1-7-2-3-8-4-5-10-11-9(8)6-7/h2-6,8-9H,1H3
InChIKeyMKIDLNQUJQQOLU-UHFFFAOYSA-N
XLogP2.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Ethenyl-5-fluoro-4a,8a-dihydrocinnoline
CID 126757737
3,6-Dimethyl-6,7-dihydrocinnoline
CID 89495253
7,8-Dimethyl-6,7-dihydrocinnoline
CID 89495255
5,8-Dimethyl-8,8a-dihydrocinnoline
CID 122691935
6,7-Dihydrocinnoline
CID 123722580
(6-Ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene
CID 130348656
6-(2-Methylpropyl)-6,7-dihydrocinnoline
CID 137396266
(3E,4Z)-3-(3-methylbutylidene)-4-prop-2-enylidenepyridazine
CID 139378881
(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine
CID 139385892
5-(Azidomethylidene)-6-methylcyclohexa-1,3-diene
CID 141360900
1,8a-Dihydrophthalazine
CID 142619253
(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane
CID 143599678

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,8a-dihydrocinnoline?
The IUPAC name of 7-methyl-4a,8a-dihydrocinnoline (CID 163775786) is 7-methyl-4a,8a-dihydrocinnoline.
What is the SMILES notation for 7-methyl-4a,8a-dihydrocinnoline?
The canonical SMILES for 7-methyl-4a,8a-dihydrocinnoline is CC1=CC2N=NC=CC2C=C1.
What is the InChIKey of 7-methyl-4a,8a-dihydrocinnoline?
The InChIKey is MKIDLNQUJQQOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-2-3-8-4-5-10-11-9(8)6-7/h2-6,8-9H,1H3.
What are the key properties of 7-methyl-4a,8a-dihydrocinnoline?
7-methyl-4a,8a-dihydrocinnoline has a molecular weight of 146.19 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,8a-dihydrocinnoline is sourced from PubChem (CID 163775786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).