1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine

C11H17N — CID 21051624

IUPAC1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine
SMILESC=C1CCCN2CCCC(C)=C12
InChIInChI=1S/C11H17N/c1-9-5-3-7-12-8-4-6-10(2)11(9)12/h1,3-8H2,2H3
InChIKeyYKDCZWMMKQZZNJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds

About 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine

1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine (PubChem CID 21051624) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine.

Molecular Properties

Compound Name1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine
PubChem CID21051624
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine
SMILESC=C1CCCN2CCCC(C)=C12
InChIInChI=1S/C11H17N/c1-9-5-3-7-12-8-4-6-10(2)11(9)12/h1,3-8H2,2H3
InChIKeyYKDCZWMMKQZZNJ-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine?
The IUPAC name of 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine (CID 21051624) is 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine.
What is the SMILES notation for 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine?
The canonical SMILES for 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine is C=C1CCCN2CCCC(C)=C12.
What is the InChIKey of 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine?
The InChIKey is YKDCZWMMKQZZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-5-3-7-12-8-4-6-10(2)11(9)12/h1,3-8H2,2H3.
What are the key properties of 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine?
1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine has a molecular weight of 163.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-methylidene-2,3,4,6,7,8-hexahydroquinolizine is sourced from PubChem (CID 21051624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).