(4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene

C15H25NO2 — CID 163551710

IUPAC(4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene
SMILESC=C1/C=C\OCO/C(CC)=C(/CC)CN(C)CC1
InChIInChI=1S/C15H25NO2/c1-5-14-11-16(4)9-7-13(3)8-10-17-12-18-15(14)6-2/h8,10H,3,5-7,9,11-12H2,1-2,4H3/b10-8-,15-14-
InChIKeyFJQAFNZRBCPEGA-VRFDNOBASA-N
MW251.37 g/mol
LogP3.46
Rot. Bonds2

About (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene

(4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene (PubChem CID 163551710) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene.

Molecular Properties

Compound Name(4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene
PubChem CID163551710
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene
SMILESC=C1/C=C\OCO/C(CC)=C(/CC)CN(C)CC1
InChIInChI=1S/C15H25NO2/c1-5-14-11-16(4)9-7-13(3)8-10-17-12-18-15(14)6-2/h8,10H,3,5-7,9,11-12H2,1-2,4H3/b10-8-,15-14-
InChIKeyFJQAFNZRBCPEGA-VRFDNOBASA-N
XLogP3.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-olate
CID 134965642

Frequently Asked Questions

What is the IUPAC name of (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene?
The IUPAC name of (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene (CID 163551710) is (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene.
What is the SMILES notation for (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene?
The canonical SMILES for (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene is C=C1/C=C\OCO/C(CC)=C(/CC)CN(C)CC1.
What is the InChIKey of (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene?
The InChIKey is FJQAFNZRBCPEGA-VRFDNOBASA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-14-11-16(4)9-7-13(3)8-10-17-12-18-15(14)6-2/h8,10H,3,5-7,9,11-12H2,1-2,4H3/b10-8-,15-14-.
What are the key properties of (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene?
(4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene has a molecular weight of 251.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,11Z)-4,5-diethyl-7-methyl-10-methylidene-1,3-dioxa-7-azacyclododeca-4,11-diene is sourced from PubChem (CID 163551710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).