(2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene

C16H21NO — CID 126538356

IUPAC(2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene
SMILESC=C1/C=C\C(C)/C=C\CO/C=C/C=C\C=C(/C)N1
InChIInChI=1S/C16H21NO/c1-14-8-7-13-18-12-6-4-5-9-15(2)17-16(3)11-10-14/h4-12,14,17H,3,13H2,1-2H3/b5-4-,8-7-,11-10-,12-6+,15-9+
InChIKeyBHIXULKLXPNJKJ-SZHXYKPTSA-N
MW243.35 g/mol
LogP3.84
Rot. Bonds

About (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene

(2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene (PubChem CID 126538356) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene.

Molecular Properties

Compound Name(2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene
PubChem CID126538356
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene
SMILESC=C1/C=C\C(C)/C=C\CO/C=C/C=C\C=C(/C)N1
InChIInChI=1S/C16H21NO/c1-14-8-7-13-18-12-6-4-5-9-15(2)17-16(3)11-10-14/h4-12,14,17H,3,13H2,1-2H3/b5-4-,8-7-,11-10-,12-6+,15-9+
InChIKeyBHIXULKLXPNJKJ-SZHXYKPTSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene?
The IUPAC name of (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene (CID 126538356) is (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene.
What is the SMILES notation for (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene?
The canonical SMILES for (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene is C=C1/C=C\C(C)/C=C\CO/C=C/C=C\C=C(/C)N1.
What is the InChIKey of (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene?
The InChIKey is BHIXULKLXPNJKJ-SZHXYKPTSA-N. The full InChI is InChI=1S/C16H21NO/c1-14-8-7-13-18-12-6-4-5-9-15(2)17-16(3)11-10-14/h4-12,14,17H,3,13H2,1-2H3/b5-4-,8-7-,11-10-,12-6+,15-9+.
What are the key properties of (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene?
(2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene has a molecular weight of 243.35 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,10Z,13Z)-7,12-dimethyl-9-methylidene-1-oxa-8-azacyclopentadeca-2,4,6,10,13-pentaene is sourced from PubChem (CID 126538356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).