(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine

C11H15N — CID 89170402

IUPAC(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine
SMILESC=C1/C=C\C=C/CCC/C(C)=N\1
InChIInChI=1S/C11H15N/c1-10-8-6-4-3-5-7-9-11(2)12-10/h3-4,6,8H,1,5,7,9H2,2H3/b4-3-,8-6-,12-11-
InChIKeyYTLYRJKNVPIIAK-FZWNHHNTSA-N
MW161.25 g/mol
LogP3.26
Rot. Bonds

About (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine

(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine (PubChem CID 89170402) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine.

Molecular Properties

Compound Name(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine
PubChem CID89170402
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine
SMILESC=C1/C=C\C=C/CCC/C(C)=N\1
InChIInChI=1S/C11H15N/c1-10-8-6-4-3-5-7-9-11(2)12-10/h3-4,6,8H,1,5,7,9H2,2H3/b4-3-,8-6-,12-11-
InChIKeyYTLYRJKNVPIIAK-FZWNHHNTSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine?
The IUPAC name of (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine (CID 89170402) is (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine.
What is the SMILES notation for (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine?
The canonical SMILES for (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine is C=C1/C=C\C=C/CCC/C(C)=N\1.
What is the InChIKey of (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine?
The InChIKey is YTLYRJKNVPIIAK-FZWNHHNTSA-N. The full InChI is InChI=1S/C11H15N/c1-10-8-6-4-3-5-7-9-11(2)12-10/h3-4,6,8H,1,5,7,9H2,2H3/b4-3-,8-6-,12-11-.
What are the key properties of (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine?
(6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine has a molecular weight of 161.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-2-methyl-10-methylidene-4,5-dihydro-3H-azecine is sourced from PubChem (CID 89170402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).