7-methyl-3,4,5,6,7,8-hexahydrocinnoline

C9H14N2 — CID 139458636

IUPAC7-methyl-3,4,5,6,7,8-hexahydrocinnoline
SMILESCC1CCC2=C(C1)N=NCC2
InChIInChI=1S/C9H14N2/c1-7-2-3-8-4-5-10-11-9(8)6-7/h7H,2-6H2,1H3
InChIKeyZIDKIJNMJPUDOU-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.92
Rot. Bonds

About 7-methyl-3,4,5,6,7,8-hexahydrocinnoline

7-methyl-3,4,5,6,7,8-hexahydrocinnoline (PubChem CID 139458636) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-methyl-3,4,5,6,7,8-hexahydrocinnoline.

Molecular Properties

Compound Name7-methyl-3,4,5,6,7,8-hexahydrocinnoline
PubChem CID139458636
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-methyl-3,4,5,6,7,8-hexahydrocinnoline
SMILESCC1CCC2=C(C1)N=NCC2
InChIInChI=1S/C9H14N2/c1-7-2-3-8-4-5-10-11-9(8)6-7/h7H,2-6H2,1H3
InChIKeyZIDKIJNMJPUDOU-UHFFFAOYSA-N
XLogP2.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,5,6,7,8-hexahydrocinnoline?
The IUPAC name of 7-methyl-3,4,5,6,7,8-hexahydrocinnoline (CID 139458636) is 7-methyl-3,4,5,6,7,8-hexahydrocinnoline.
What is the SMILES notation for 7-methyl-3,4,5,6,7,8-hexahydrocinnoline?
The canonical SMILES for 7-methyl-3,4,5,6,7,8-hexahydrocinnoline is CC1CCC2=C(C1)N=NCC2.
What is the InChIKey of 7-methyl-3,4,5,6,7,8-hexahydrocinnoline?
The InChIKey is ZIDKIJNMJPUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-2-3-8-4-5-10-11-9(8)6-7/h7H,2-6H2,1H3.
What are the key properties of 7-methyl-3,4,5,6,7,8-hexahydrocinnoline?
7-methyl-3,4,5,6,7,8-hexahydrocinnoline has a molecular weight of 150.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,5,6,7,8-hexahydrocinnoline is sourced from PubChem (CID 139458636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).