(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene

C14H13NO2 — CID 59134398

IUPAC(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene
SMILESCC1(C)Oc2cc3cccnc3cc2[C@H]2O[C@H]21
InChIInChI=1S/C14H13NO2/c1-14(2)13-12(16-13)9-7-10-8(4-3-5-15-10)6-11(9)17-14/h3-7,12-13H,1-2H3/t12-,13-/m1/s1
InChIKeyJMWYGXKXXKANOH-CHWSQXEVSA-N
MW227.26 g/mol
LogP2.85
Rot. Bonds

About (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene

(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene (PubChem CID 59134398) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene
PubChem CID59134398
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene
SMILESCC1(C)Oc2cc3cccnc3cc2[C@H]2O[C@H]21
InChIInChI=1S/C14H13NO2/c1-14(2)13-12(16-13)9-7-10-8(4-3-5-15-10)6-11(9)17-14/h3-7,12-13H,1-2H3/t12-,13-/m1/s1
InChIKeyJMWYGXKXXKANOH-CHWSQXEVSA-N
XLogP2.85
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene (CID 59134398) is (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene is CC1(C)Oc2cc3cccnc3cc2[C@H]2O[C@H]21.
What is the InChIKey of (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene?
The InChIKey is JMWYGXKXXKANOH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H13NO2/c1-14(2)13-12(16-13)9-7-10-8(4-3-5-15-10)6-11(9)17-14/h3-7,12-13H,1-2H3/t12-,13-/m1/s1.
What are the key properties of (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene?
(11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene has a molecular weight of 227.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 59134398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).