(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine

C13H19NO — CID 138614842

IUPAC(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine
SMILESC=C1/C=C\C(COC)=C/C/C=C(/C)CN1
InChIInChI=1S/C13H19NO/c1-11-5-4-6-13(10-15-3)8-7-12(2)14-9-11/h5-8,14H,2,4,9-10H2,1,3H3/b8-7-,11-5-,13-6+
InChIKeyAYEZBTTZMMTQQN-QDIVKUMWSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds2

About (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine

(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine (PubChem CID 138614842) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine.

Molecular Properties

Compound Name(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine
PubChem CID138614842
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine
SMILESC=C1/C=C\C(COC)=C/C/C=C(/C)CN1
InChIInChI=1S/C13H19NO/c1-11-5-4-6-13(10-15-3)8-7-12(2)14-9-11/h5-8,14H,2,4,9-10H2,1,3H3/b8-7-,11-5-,13-6+
InChIKeyAYEZBTTZMMTQQN-QDIVKUMWSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine?
The IUPAC name of (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine (CID 138614842) is (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine.
What is the SMILES notation for (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine?
The canonical SMILES for (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine is C=C1/C=C\C(COC)=C/C/C=C(/C)CN1.
What is the InChIKey of (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine?
The InChIKey is AYEZBTTZMMTQQN-QDIVKUMWSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-4-6-13(10-15-3)8-7-12(2)14-9-11/h5-8,14H,2,4,9-10H2,1,3H3/b8-7-,11-5-,13-6+.
What are the key properties of (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine?
(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine has a molecular weight of 205.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine is sourced from PubChem (CID 138614842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).