(11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one

C16H15NO2 — CID 59074994

IUPAC(11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one
SMILESC[C@@H]1OC[C@@]2(C)c3cc4ccccc4cc3C(=O)N12
InChIInChI=1S/C16H15NO2/c1-10-17-15(18)13-7-11-5-3-4-6-12(11)8-14(13)16(17,2)9-19-10/h3-8,10H,9H2,1-2H3/t10-,16-/m0/s1
InChIKeyHSCIDXFDTDXYPW-QFYYESIMSA-N
MW253.30 g/mol
LogP2.89
Rot. Bonds

About (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one

(11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one (PubChem CID 59074994) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one.

Molecular Properties

Compound Name(11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one
PubChem CID59074994
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one
SMILESC[C@@H]1OC[C@@]2(C)c3cc4ccccc4cc3C(=O)N12
InChIInChI=1S/C16H15NO2/c1-10-17-15(18)13-7-11-5-3-4-6-12(11)8-14(13)16(17,2)9-19-10/h3-8,10H,9H2,1-2H3/t10-,16-/m0/s1
InChIKeyHSCIDXFDTDXYPW-QFYYESIMSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one with MolForge

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Related Compounds

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9b-(3-Methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592316
8-methyl-3-phenyl-2,3-dihydro-9bH-oxazolo[2,3-a]isoindol-5-one
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Frequently Asked Questions

What is the IUPAC name of (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one?
The IUPAC name of (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one (CID 59074994) is (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one.
What is the SMILES notation for (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one?
The canonical SMILES for (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one is C[C@@H]1OC[C@@]2(C)c3cc4ccccc4cc3C(=O)N12.
What is the InChIKey of (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one?
The InChIKey is HSCIDXFDTDXYPW-QFYYESIMSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-17-15(18)13-7-11-5-3-4-6-12(11)8-14(13)16(17,2)9-19-10/h3-8,10H,9H2,1-2H3/t10-,16-/m0/s1.
What are the key properties of (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one?
(11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one has a molecular weight of 253.30 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,14S)-11,14-dimethyl-13-oxa-15-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one is sourced from PubChem (CID 59074994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).